A0A077Z325_TRITR Loading...

transaldolase

AlphaFold DB , UniProt , Accession A0A077Z325, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.7Confident96.4Very high143 Ų14356.1 Ų56.170%0.70427%0.265SS*.  0116.40-165.6179.4-82.900107.4E5 Q6 N9M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CG-CB 3.27Å; M1-E5 HydrophobicContact CG-CG 4.35Å; M1-E5 HydrophobicContact SD-CB 4.19Å; M1-Q6 HydrophobicContact CB-CG 4.28Å; M1-Q6 HydrophobicContact CG-CG 3.83Å; M1-Q6 PolarHBondContact O-NE2 3.35Å; M1-Q6 HydrophobicContact SD-CB 4.4Å; M1-Q6 HydrophobicContact SD-CG 3.73Å; M1-N9 PolarHBondContact SD-ND2 2.56Å
2N96.5Very high96.6Very high35 Ų3556.2 Ų56.219%0.18727%0.272CS..  trans-75.1175.3176.663.141000111.2L4 E5 Q6 A254 D256N2-L4 VanDerWaalsContact C-N 3.3Å; N2-L4 PolarHBondContact O-N 2.96Å; N2-L4 WeakPolarHBondContact OD1-CB 3.35Å; N2-L4 PolarHBondContact OD1-N 2.82Å; N2-L4 VanDerWaalsContact OD1-N 3.14Å; N2-E5 PolarHBondContact N-OE2 3.35Å; N2-E5 PolarHBondContact O-N 2.82Å; N2-E5 WeakPolarHBondContact OD1-CG 3.4Å; N2-E5 PolarHBondContact OD1-N 2.98Å; N2-Q6 WeakPolarHBondContact O-CG 3.45Å; N2-Q6 PolarHBondContact O-N 2.77Å; N2-Q6 PolarHBondContact O-NE2 3.21Å; N2-A254 VanDerWaalsContact CB-O 3.22Å; N2-A254 WeakPolarHBondContact CB-O 3.19Å; N2-A254 VanDerWaalsContact CG-O 3.25Å; N2-A254 PolarHBondContact ND2-O 3.16Å; N2-D256 CarbonylContact C-O 3.51Å; N2-D256 WeakPolarHBondContact CA-O 3.23Å; N2-D256 WeakPolarHBondContact CB-O 3.46Å
3A97.5Very high96.7Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-64.4-33.8-177.200000112.4Q6 L7 L253 D256A3-Q6 PolarHBondContact O-N 3.34Å; A3-L7 WeakPolarHBondContact O-CB 3.22Å; A3-L7 PolarHBondContact O-N 3.28Å; A3-L253 HydrophobicContact CB-CD2 4.24Å; A3-L253 PolarHBondContact N-O 3.41Å; A3-D256 HydrophobicContact CB-CB 3.9Å; A3-D256 PolarHBondContact N-O 3.31Å
4L96.9Very high96.8Very high11 Ų1148.6 Ų48.66%0.05824%0.236CC..Hα-helixtrans-66-44.7175.717959000112N2 Q6 L7 K8 V13 F26 L250 L253 A254N2-L4 VanDerWaalsContact C-N 3.3Å; N2-L4 PolarHBondContact O-N 2.96Å; N2-L4 WeakPolarHBondContact OD1-CB 3.35Å; N2-L4 PolarHBondContact OD1-N 2.82Å; N2-L4 VanDerWaalsContact OD1-N 3.14Å; L4-Q6 VanDerWaalsContact C-N 3.35Å; L4-L7 WeakPolarHBondContact O-CB 3.29Å; L4-L7 PolarHBondContact O-N 3.19Å; L4-K8 WeakPolarHBondContact O-CG 3.01Å; L4-K8 PolarHBondContact O-N 3.4Å; L4-K8 VanDerWaalsContact O-N 3.11Å; L4-V13 HydrophobicContact CD1-CG1 4.33Å; L4-V13 HydrophobicContact CD1-CG2 4.18Å; L4-F26 HydrophobicContact CD2-CD1 4.15Å; L4-L250 HydrophobicContact CD1-CD2 3.74Å; L4-L250 HydrophobicContact CD2-CD2 4.46Å; L4-L253 HydrophobicContact CB-CB 3.89Å; L4-L253 PolarHBondContact N-O 3.45Å; L4-L253 VanDerWaalsContact N-O 3.15Å; L4-A254 HydrophobicContact CB-CB 4.47Å; L4-A254 HydrophobicContact CD2-CB 4.07Å
5E96.5Very high96.8Very high95 Ų9545.5 Ų45.544%0.44422%0.221SC..Hα-helixtrans-64.9-39.7175.9-69.1171.1146.100111.3M1 N2 K8M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CG-CB 3.27Å; M1-E5 HydrophobicContact CG-CG 4.35Å; M1-E5 HydrophobicContact SD-CB 4.19Å; N2-E5 PolarHBondContact N-OE2 3.35Å; N2-E5 PolarHBondContact O-N 2.82Å; N2-E5 WeakPolarHBondContact OD1-CG 3.4Å; N2-E5 PolarHBondContact OD1-N 2.98Å; E5-K8 PolarHBondContact O-N 2.98Å
6Q98Very high96.8Very high32 Ų3244.5 Ų44.515%0.1522%0.217CC..Hα-helixtrans-62.9-42.1173.4-72.1174.175.500111.6M1 N2 A3 L4 K8 N9 Y10 S258 L260M1-Q6 HydrophobicContact CB-CG 4.28Å; M1-Q6 HydrophobicContact CG-CG 3.83Å; M1-Q6 PolarHBondContact O-NE2 3.35Å; M1-Q6 HydrophobicContact SD-CB 4.4Å; M1-Q6 HydrophobicContact SD-CG 3.73Å; N2-Q6 WeakPolarHBondContact O-CG 3.45Å; N2-Q6 PolarHBondContact O-N 2.77Å; N2-Q6 PolarHBondContact O-NE2 3.21Å; A3-Q6 PolarHBondContact O-N 3.34Å; L4-Q6 VanDerWaalsContact C-N 3.35Å; Q6-K8 VanDerWaalsContact C-N 3.32Å; Q6-K8 PolarHBondContact O-N 3.35Å; Q6-N9 WeakPolarHBondContact O-CB 3.11Å; Q6-N9 PolarHBondContact O-N 3.04Å; Q6-Y10 VanDerWaalsContact O-CD2 3.23Å; Q6-Y10 WeakPolarHBondContact O-CD2 3.42Å; Q6-S258 PolarHBondContact NE2-O 3.42Å; Q6-L260 HydrophobicContact CB-CB 3.88Å; Q6-L260 HydrophobicContact CB-CD2 4.22Å
7L97.8Very high96.6Very high2 Ų242.2 Ų42.21%0.0121%0.208CC..Hα-helixtrans-59.9-42.1178.1-179.565.6000111.8A3 L4 N9 Y10 T11 V13 V234 C238 L243 I245 L260A3-L7 WeakPolarHBondContact O-CB 3.22Å; A3-L7 PolarHBondContact O-N 3.28Å; L4-L7 WeakPolarHBondContact O-CB 3.29Å; L4-L7 PolarHBondContact O-N 3.19Å; L7-N9 PolarHBondContact O-N 3.39Å; L7-N9 VanDerWaalsContact O-N 3.12Å; L7-Y10 PolarHBondContact O-N 3.12Å; L7-T11 HydrophobicContact CD1-CG2 4.41Å; L7-T11 PolarHBondContact O-N 3.34Å; L7-V13 HydrophobicContact CD2-CG2 3.99Å; L7-V13 HydrophobicContact CG-CG2 4.24Å; L7-V234 HydrophobicContact CD2-CG1 3.68Å; L7-C238 HydrophobicContact CD1-CB 4.08Å; L7-L243 HydrophobicContact CD1-CD1 4.08Å; L7-L243 HydrophobicContact CD2-CD1 4.37Å; L7-I245 HydrophobicContact CD2-CD1 3.85Å; L7-L260 HydrophobicContact CB-CD2 3.72Å; L7-L260 HydrophobicContact CD1-CD2 4.01Å; L7-L260 HydrophobicContact CG-CD2 4.5Å
8K96.7Very high96.2Very high89 Ų8940.1 Ų40.139%0.38720%0.198SC..Hα-helixtrans-61.3-18.4178.8-73.6-178.3178.1-168.70113.7L4 E5 Q6 Y10 V13 F26L4-K8 WeakPolarHBondContact O-CG 3.01Å; L4-K8 PolarHBondContact O-N 3.4Å; L4-K8 VanDerWaalsContact O-N 3.11Å; E5-K8 PolarHBondContact O-N 2.98Å; Q6-K8 VanDerWaalsContact C-N 3.32Å; Q6-K8 PolarHBondContact O-N 3.35Å; K8-Y10 VanDerWaalsContact C-N 3.31Å; K8-V13 HydrophobicContact CG-CB 4.3Å; K8-V13 HydrophobicContact CG-CG2 3.65Å; K8-F26 PolarHBondContact NZ-O 2.95Å
9N96.7Very high96Very high101 Ų10139.4 Ų39.454%0.5420%0.195SC..THydrogen-bonded Turntrans-74.5-20.6174.1-63.6-32.6000113.4M1 Q6 L7M1-N9 PolarHBondContact SD-ND2 2.56Å; Q6-N9 WeakPolarHBondContact O-CB 3.11Å; Q6-N9 PolarHBondContact O-N 3.04Å; L7-N9 PolarHBondContact O-N 3.39Å; L7-N9 VanDerWaalsContact O-N 3.12Å
10Y97.3Very high95.8Very high104 Ų10438.6 Ų38.641%0.40819%0.191SC..THydrogen-bonded Turntrans-120.7-24.9-172.9-55.6-72.5000113.5Q6 L7 K8 C238 Q262Q6-Y10 VanDerWaalsContact O-CD2 3.23Å; Q6-Y10 WeakPolarHBondContact O-CD2 3.42Å; L7-Y10 PolarHBondContact O-N 3.12Å; K8-Y10 VanDerWaalsContact C-N 3.31Å; Y10-C238 VanDerWaalsContact CD2-SG 3.57Å; Y10-Q262 HydrophobicContact CD1-CB 4.07Å; Y10-Q262 HydrophobicContact CD1-CG 4Å; Y10-Q262 HydrophobicContact CE1-CB 4.18Å; Y10-Q262 HydrophobicContact CG-CB 4.31Å; Y10-Q262 HydrophobicContact CG-CG 4.27Å
11T98.4Very high95.5Very high5 Ų542.9 Ų42.93%0.03121%0.21CC..SBendtrans-141.6136.9-169.3-69.20000110.6L7 V13 G239 C240 L243L7-T11 HydrophobicContact CD1-CG2 4.41Å; L7-T11 PolarHBondContact O-N 3.34Å; T11-V13 PolarHBondContact O-N 3.3Å; T11-G239 WeakPolarHBondContact OG1-CA 3.33Å; T11-G239 PolarHBondContact OG1-N 3.48Å; T11-C240 WeakPolarHBondContact CB-O 3.47Å; T11-C240 VanDerWaalsContact CG2-O 3.25Å; T11-C240 WeakPolarHBondContact CG2-O 3.25Å; T11-C240 PolarHBondContact OG1-N 2.95Å; T11-C240 PolarHBondContact OG1-O 3.3Å; T11-L243 HydrophobicContact CG2-CB 4.18Å; T11-L243 HydrophobicContact CG2-CD1 3.77Å; T11-L243 HydrophobicContact CG2-CG 3.62Å
12T98.3Very high95.5Very high57 Ų5737.5 Ų37.535%0.3519%0.185SC..EExtended strand (participates in β ladder)trans-71.1122174.7-55.50000109.9Q29 D241 L242 L243T12-Q29 HydrophobicContact CG2-CB 3.48Å; T12-Q29 VanDerWaalsContact CG2-CB 3.48Å; T12-Q29 HydrophobicContact CG2-CG 3.55Å; T12-D241 WeakPolarHBondContact CB-O 3.42Å; T12-D241 PolarHBondContact N-O 3.45Å; T12-D241 VanDerWaalsContact N-O 3.17Å; T12-D241 PolarHBondContact OG1-O 2.99Å; T12-L242 HydrophobicContact CG2-CD2 3.93Å; T12-L242 HydrophobicContact CG2-CG 4.29Å; T12-L242 CarbonylContact O-C 3.59Å; T12-L242 VanDerWaalsContact O-CA 3.28Å; T12-L242 WeakPolarHBondContact O-CA 3.36Å; T12-L243 PolarHBondContact O-N 2.6Å
13V97.8Very high95.2Very high6 Ų635.9 Ų35.94%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-89.1127178.7175.40000110.4L4 L7 K8 T11 Q29 I245 L250L4-V13 HydrophobicContact CD1-CG1 4.33Å; L4-V13 HydrophobicContact CD1-CG2 4.18Å; L7-V13 HydrophobicContact CD2-CG2 3.99Å; L7-V13 HydrophobicContact CG-CG2 4.24Å; K8-V13 HydrophobicContact CG-CB 4.3Å; K8-V13 HydrophobicContact CG-CG2 3.65Å; T11-V13 PolarHBondContact O-N 3.3Å; V13-Q29 PolarHBondContact O-N 3.06Å; V13-I245 HydrophobicContact CG1-CD1 4.41Å; V13-L250 HydrophobicContact CG1-CD2 3.68Å
14V98.3Very high94.9Very high1 Ų141.5 Ų41.51%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-117.7138.3-180-178.30000108.4D30 T32 M224 L242 L243 T244 I245V14-D30 WeakPolarHBondContact CA-O 3.49Å; V14-D30 HydrophobicContact CB-CB 4.31Å; V14-D30 HydrophobicContact CG1-CB 3.84Å; V14-D30 WeakPolarHBondContact CG1-O 3.13Å; V14-D30 HydrophobicContact CG2-CB 3.79Å; V14-T32 HydrophobicContact CG1-CG2 4.02Å; V14-M224 HydrophobicContact CB-SD 3.99Å; V14-M224 HydrophobicContact CG1-SD 3.91Å; V14-M224 HydrophobicContact CG2-SD 3.74Å; V14-L242 HydrophobicContact CG2-CB 4.1Å; V14-L242 HydrophobicContact CG2-CD2 3.72Å; V14-L243 WeakPolarHBondContact CB-O 3.46Å; V14-L243 PolarHBondContact N-O 3.28Å; V14-T244 WeakPolarHBondContact O-CA 3.42Å; V14-I245 PolarHBondContact O-N 3.46Å
15A97.3Very high94.6Very high1 Ų146.6 Ų46.61%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-87.3130176.400000111.5A17 I23 P28 D30 A31 T32A15-A17 PolarHBondContact O-N 3.15Å; A15-I23 HydrophobicContact CB-CG1 4.11Å; A15-P28 HydrophobicContact CB-CB 3.94Å; A15-P28 HydrophobicContact CB-CG 3.67Å; A15-D30 PolarHBondContact N-O 3.17Å; A15-D30 VanDerWaalsContact N-O 3.07Å; A15-A31 CarbonylContact O-C 3.56Å; A15-A31 VanDerWaalsContact O-CA 3.31Å; A15-A31 WeakPolarHBondContact O-CA 3.33Å; A15-T32 PolarHBondContact O-N 2.94Å
16D95.6Very high94.3Very high30 Ų3043 Ų4316%0.1621%0.209CC..EExtended strand (participates in β ladder)trans-97.678.9172.8-163.332.6000109.8T32 L37 T244 I245 P247D16-T32 PolarHBondContact OD1-OG1 2.9Å; D16-L37 VanDerWaalsContact OD1-CD1 3.26Å; D16-L37 WeakPolarHBondContact OD1-CD1 3.43Å; D16-T244 WeakPolarHBondContact CB-OG1 3.47Å; D16-T244 PolarHBondContact N-OG1 2.89Å; D16-I245 PolarHBondContact N-O 3.48Å; D16-P247 WeakPolarHBondContact O-CD 3.48Å
17A94.5Very high93.8Very high6 Ų649.4 Ų49.45%0.0524%0.237CC..  trans-155.5152-174.300000112.4A15 I23 T32 P247A15-A17 PolarHBondContact O-N 3.15Å; A17-I23 HydrophobicContact CB-CD1 4.3Å; A17-I23 HydrophobicContact CB-CG1 3.89Å; A17-T32 PolarHBondContact N-O 3.38Å; A17-P247 HydrophobicContact CB-CG 3.94Å
18G89.3Confident93.6Very high4 Ų449.6 Ų49.64%0.04124%0.238CC..SBendtrans-101.5-9.2165.200000113.6F20G18-F20 WeakPolarHBondContact O-CE1 3.44Å
19D92.2Very high93.6Very high26 Ų2649.6 Ų49.614%0.13924%0.239CC..  trans-89.5118.6-180167.113.6000111Q21 T22 I23 M44 Y47D19-Q21 PolarHBondContact OD1-N 2.84Å; D19-T22 PolarHBondContact O-N 2.89Å; D19-T22 WeakPolarHBondContact OD2-CB 3.38Å; D19-T22 PolarHBondContact OD2-OG1 2.73Å; D19-I23 VanDerWaalsContact O-CG1 3.27Å; D19-I23 WeakPolarHBondContact O-CG1 3.23Å; D19-I23 PolarHBondContact O-N 3.27Å; D19-M44 HydrophobicContact CB-CE 4.2Å; D19-M44 HydrophobicContact CB-SD 4.32Å; D19-Y47 HydrophobicContact CB-CE2 4.49Å; D19-Y47 PolarHBondContact OD1-OH 3.14Å
20F91.6Very high93.6Very high24 Ų2445.2 Ų45.211%0.10522%0.216CC..Hα-helixtrans-66.8-36.4-175.7-52.3-26.4000113.7G18 T22 I23 H24 Y47 L50 F81 E84 I85 I88G18-F20 WeakPolarHBondContact O-CE1 3.44Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.47Å; F20-I23 PolarHBondContact O-N 3.07Å; F20-H24 WeakPolarHBondContact O-CB 3.31Å; F20-H24 PolarHBondContact O-N 3.12Å; F20-Y47 AromaticContact CD2-CD1 3.99Å; F20-Y47 HydrophobicContact CD2-CD1 3.99Å; F20-Y47 AromaticContact CD2-CE1 3.29Å; F20-Y47 HydrophobicContact CD2-CE1 3.29Å; F20-Y47 AromaticContact CD2-CZ 3.79Å; F20-Y47 AromaticContact CE2-CD1 3.7Å; F20-Y47 HydrophobicContact CE2-CD1 3.7Å; F20-Y47 AromaticContact CE2-CE1 3.51Å; F20-Y47 HydrophobicContact CE2-CE1 3.51Å; F20-Y47 HydrophobicContact CG-CE1 4.08Å; F20-Y47 HydrophobicContact CZ-CE1 4.43Å; F20-Y47 PolarHBondContact N-OH 2.85Å; F20-L50 HydrophobicContact CE2-CD1 3.72Å; F20-L50 HydrophobicContact CZ-CD1 3.55Å; F20-F81 AromaticContact CE1-CD1 3.62Å; F20-F81 HydrophobicContact CE1-CD1 3.62Å; F20-F81 HydrophobicContact CE1-CE1 4.2Å; F20-F81 AromaticContact CZ-CD1 3.49Å; F20-F81 HydrophobicContact CZ-CD1 3.49Å; F20-F81 VanDerWaalsContact CZ-CD1 3.49Å; F20-F81 AromaticContact CZ-CE1 3.84Å; F20-F81 HydrophobicContact CZ-CE1 3.84Å; F20-F81 HydrophobicContact CZ-CG 4.29Å; F20-E84 HydrophobicContact CD1-CB 4.29Å; F20-E84 HydrophobicContact CD2-CB 4.01Å; F20-E84 HydrophobicContact CE1-CB 3.77Å; F20-E84 HydrophobicContact CE2-CB 3.46Å; F20-E84 VanDerWaalsContact CE2-CB 3.46Å; F20-E84 HydrophobicContact CE2-CG 3.77Å; F20-E84 HydrophobicContact CG-CB 4.43Å; F20-E84 HydrophobicContact CZ-CB 3.34Å; F20-E84 HydrophobicContact CZ-CG 3.89Å; F20-I85 HydrophobicContact CD1-CG1 3.75Å; F20-I85 HydrophobicContact CE1-CD1 4.32Å; F20-I85 HydrophobicContact CE1-CG1 3.66Å; F20-I88 HydrophobicContact CB-CD1 3.61Å; F20-I88 HydrophobicContact CG-CD1 4.27Å
21Q89.6Confident93.7Very high128 Ų12840.2 Ų40.260%0.59820%0.196SC*.Hα-helixtrans-64.1-43.9-179.6-68.3-175.1-8.300109.7D19 H24 Q25D19-Q21 PolarHBondContact OD1-N 2.84Å; Q21-H24 WeakPolarHBondContact O-CB 3.32Å; Q21-H24 PolarHBondContact O-N 3.17Å; Q21-Q25 PolarHBondContact O-N 3.31Å; Q21-Q25 VanDerWaalsContact O-N 3.1Å
22T87.8Confident93.6Very high30 Ų3040.1 Ų40.118%0.18420%0.196CC..Hα-helixtrans-68.9-37.7179.2-62.80000112.4D19 F20 H24 Q25 F26 P247D19-T22 PolarHBondContact O-N 2.89Å; D19-T22 WeakPolarHBondContact OD2-CB 3.38Å; D19-T22 PolarHBondContact OD2-OG1 2.73Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.47Å; T22-H24 VanDerWaalsContact C-N 3.33Å; T22-Q25 PolarHBondContact O-N 3.41Å; T22-F26 HydrophobicContact CG2-CE2 4.27Å; T22-F26 WeakPolarHBondContact O-CD2 3.43Å; T22-P247 HydrophobicContact CG2-CB 3.11Å; T22-P247 HydrophobicContact CG2-CG 3.1Å
23I90.3Very high93.5Very high1 Ų137.4 Ų37.41%0.00518%0.179CC..Hα-helixtrans-61.5-43.5171.6-68.2165.8000110.6A15 A17 D19 F20 Q25 P28 I85 I88 I89A15-I23 HydrophobicContact CB-CG1 4.11Å; A17-I23 HydrophobicContact CB-CD1 4.3Å; A17-I23 HydrophobicContact CB-CG1 3.89Å; D19-I23 VanDerWaalsContact O-CG1 3.27Å; D19-I23 WeakPolarHBondContact O-CG1 3.23Å; D19-I23 PolarHBondContact O-N 3.27Å; F20-I23 PolarHBondContact O-N 3.07Å; I23-Q25 VanDerWaalsContact C-N 3.33Å; I23-Q25 PolarHBondContact O-N 3.11Å; I23-P28 HydrophobicContact CG2-CG 3.97Å; I23-P28 WeakPolarHBondContact O-CD 3.44Å; I23-I85 HydrophobicContact CD1-CD1 3.92Å; I23-I85 HydrophobicContact CD1-CG1 3.68Å; I23-I85 HydrophobicContact CD1-CG2 4.24Å; I23-I88 HydrophobicContact CG2-CG2 3.96Å; I23-I89 HydrophobicContact CG2-CG2 3.75Å
24H91.3Very high93.4Very high118 Ų11837.8 Ų37.855%0.54618%0.181SC..Hα-helixtrans-62.2-38.5-179.3-172.773.6000112.8F20 Q21 T22 F26 K27 I88F20-H24 WeakPolarHBondContact O-CB 3.31Å; F20-H24 PolarHBondContact O-N 3.12Å; Q21-H24 WeakPolarHBondContact O-CB 3.32Å; Q21-H24 PolarHBondContact O-N 3.17Å; T22-H24 VanDerWaalsContact C-N 3.33Å; H24-F26 VanDerWaalsContact C-N 3.34Å; H24-F26 PolarHBondContact O-N 3.42Å; H24-K27 PolarHBondContact O-N 2.93Å; H24-I88 HydrophobicContact CB-CG2 3.99Å
25Q91.6Very high93.3Very high118 Ų11837.9 Ų37.955%0.55118%0.182SC*.Hα-helixtrans-55.7-42.7-177.3-177.3179.5-5.500113.5Q21 T22 I23Q21-Q25 PolarHBondContact O-N 3.31Å; Q21-Q25 VanDerWaalsContact O-N 3.1Å; T22-Q25 PolarHBondContact O-N 3.41Å; I23-Q25 VanDerWaalsContact C-N 3.33Å; I23-Q25 PolarHBondContact O-N 3.11Å
26F90.2Very high93.2Very high21 Ų2139.6 Ų39.69%0.09219%0.192CC..Hα-helixtrans-96.5-3.9-171.5-61.8-71.1000114.7L4 K8 T22 H24 P247 L250 E251L4-F26 HydrophobicContact CD2-CD1 4.15Å; K8-F26 PolarHBondContact NZ-O 2.95Å; T22-F26 HydrophobicContact CG2-CE2 4.27Å; T22-F26 WeakPolarHBondContact O-CD2 3.43Å; H24-F26 VanDerWaalsContact C-N 3.34Å; H24-F26 PolarHBondContact O-N 3.42Å; F26-P247 HydrophobicContact CE2-CB 4.22Å; F26-L250 HydrophobicContact CB-CD1 3.96Å; F26-L250 HydrophobicContact CD1-CB 3.78Å; F26-L250 HydrophobicContact CD2-CB 4Å; F26-L250 HydrophobicContact CD2-CD1 3.72Å; F26-L250 HydrophobicContact CE1-CB 3.8Å; F26-L250 HydrophobicContact CE2-CB 4.02Å; F26-L250 HydrophobicContact CE2-CD1 4.38Å; F26-L250 HydrophobicContact CG-CB 3.88Å; F26-L250 HydrophobicContact CG-CD1 3.8Å; F26-L250 HydrophobicContact CG-CG 4.41Å; F26-L250 HydrophobicContact CZ-CB 3.93Å; F26-E251 HydrophobicContact CE1-CB 4.41Å; F26-E251 HydrophobicContact CZ-CB 4.01Å
27K87.5Confident93.2Very high166 Ų16639.1 Ų39.172%0.72219%0.189SC*.  trans43.560-177.4-58.5179.8-178.3179.50111.8H24H24-K27 PolarHBondContact O-N 2.93Å
28P92.9Very high93.3Very high5 Ų538.8 Ų38.83%0.03219%0.187CC..  trans-71.7162.2178.835.6-39000110.7A15 I23 D30 I89A15-P28 HydrophobicContact CB-CB 3.94Å; A15-P28 HydrophobicContact CB-CG 3.67Å; I23-P28 HydrophobicContact CG2-CG 3.97Å; I23-P28 WeakPolarHBondContact O-CD 3.44Å; P28-D30 WeakPolarHBondContact CB-O 3.21Å; P28-I89 HydrophobicContact CG-CG2 3.89Å
29Q96.6Very high93.7Very high90 Ų9040.5 Ų40.542%0.42120%0.195SC..SBendtrans-76.3-49.4175.5175.458.637.800111.3T12 V13 P90 G91T12-Q29 HydrophobicContact CG2-CB 3.48Å; T12-Q29 VanDerWaalsContact CG2-CB 3.48Å; T12-Q29 HydrophobicContact CG2-CG 3.55Å; V13-Q29 PolarHBondContact O-N 3.06Å; Q29-P90 WeakPolarHBondContact O-CD 3.27Å; Q29-G91 VanDerWaalsContact O-CA 3.22Å; Q29-G91 WeakPolarHBondContact O-CA 3.45Å; Q29-G91 PolarHBondContact O-N 3.14Å
30D97.8Very high93.8Very high8 Ų845.1 Ų45.14%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-123173.5-179.4-69.90.2000109.5V14 A15 P28 G91 R92V14-D30 WeakPolarHBondContact CA-O 3.49Å; V14-D30 HydrophobicContact CB-CB 4.31Å; V14-D30 HydrophobicContact CG1-CB 3.84Å; V14-D30 WeakPolarHBondContact CG1-O 3.13Å; V14-D30 HydrophobicContact CG2-CB 3.79Å; A15-D30 PolarHBondContact N-O 3.17Å; A15-D30 VanDerWaalsContact N-O 3.07Å; P28-D30 WeakPolarHBondContact CB-O 3.21Å; D30-G91 WeakPolarHBondContact OD1-CA 3.37Å; D30-R92 WeakPolarHBondContact CA-O 3.26Å; D30-R92 VanDerWaalsContact CB-O 3.25Å; D30-R92 WeakPolarHBondContact CB-O 3.33Å; D30-R92 VanDerWaalsContact CG-N 3.35Å; D30-R92 PolarHBondContact OD1-N 3.14Å; D30-R92 IonicContact OD2-CZ 3.69Å; D30-R92 IonicContact OD2-NE 3.38Å; D30-R92 PolarHBondContact OD2-NE 2.94Å; D30-R92 VanDerWaalsContact OD2-NE 3.17Å; D30-R92 IonicContact OD2-NH2 3.56Å; D30-R92 PolarHBondContact OD2-NH2 3.45Å; D30-R92 VanDerWaalsContact OD2-NH2 3.09Å
31A97.9Very high93.9Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-140.2148.7169.400000112.5A15 I85 I89 R92 V93 S94A15-A31 CarbonylContact O-C 3.56Å; A15-A31 VanDerWaalsContact O-CA 3.31Å; A15-A31 WeakPolarHBondContact O-CA 3.33Å; A31-I85 HydrophobicContact CB-CG2 3.52Å; A31-I89 HydrophobicContact CB-CD1 3.95Å; A31-I89 HydrophobicContact CB-CG2 4.49Å; A31-R92 PolarHBondContact N-O 3.32Å; A31-V93 CarbonylContact O-C 3.58Å; A31-V93 WeakPolarHBondContact O-CA 3.37Å; A31-S94 PolarHBondContact O-N 3.4Å
32T97.4Very high94Very high3 Ų338.4 Ų38.42%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-114.8135.3172.254.50000111.9V14 A15 D16 A17 M224 T244V14-T32 HydrophobicContact CG1-CG2 4.02Å; A15-T32 PolarHBondContact O-N 2.94Å; D16-T32 PolarHBondContact OD1-OG1 2.9Å; A17-T32 PolarHBondContact N-O 3.38Å; T32-M224 HydrophobicContact CG2-CE 3.34Å; T32-M224 HydrophobicContact CG2-SD 4.3Å; T32-T244 HydrophobicContact CG2-CG2 4.27Å; T32-T244 PolarHBondContact OG1-OG1 3.11Å
33T96Very high94.2Very high0 Ų040.3 Ų40.30%021%0.211CC..  trans-112.5168.616770.50000110.3I38 I85 V93 S94 K132T33-I38 HydrophobicContact CG2-CD1 3.99Å; T33-I85 HydrophobicContact CG2-CD1 3.46Å; T33-I85 VanDerWaalsContact CG2-CD1 3.46Å; T33-V93 HydrophobicContact CG2-CG2 4.37Å; T33-S94 PolarHBondContact N-O 3.49Å; T33-S94 VanDerWaalsContact N-O 3.1Å; T33-S94 PolarHBondContact OG1-O 3.48Å; T33-K132 PolarHBondContact O-NZ 3.29Å
34N95.7Very high94.2Very high13 Ų1343.5 Ų43.57%0.0723%0.227CC..  trans-162.4169.6171.261.660.5000108.1T36 L37 I38 E96 F305N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 3.31Å; N34-T36 WeakPolarHBondContact OD1-CA 3.35Å; N34-T36 WeakPolarHBondContact OD1-CB 3.19Å; N34-T36 PolarHBondContact OD1-N 2.97Å; N34-L37 VanDerWaalsContact ND2-CD1 3.34Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.31Å; N34-L37 WeakPolarHBondContact ND2-CG 3.06Å; N34-L37 PolarHBondContact O-N 3.18Å; N34-L37 VanDerWaalsContact O-N 3.09Å; N34-L37 PolarHBondContact OD1-N 2.88Å; N34-I38 WeakPolarHBondContact O-CG1 3.42Å; N34-I38 PolarHBondContact O-N 3.12Å; N34-E96 WeakPolarHBondContact CB-OE2 3.22Å; N34-F305 HydrophobicContact CB-CE1 4.22Å; N34-F305 HydrophobicContact CB-CZ 4.12Å
35P95.5Very high94.2Very high4 Ų442.7 Ų42.73%0.02624%0.241CC..Hα-helixtrans-55.9-36-178.6-28.937000114.7L39 F78 F305 D308 A309P35-L39 WeakPolarHBondContact O-CB 3.4Å; P35-L39 PolarHBondContact O-N 3.5Å; P35-F78 HydrophobicContact CB-CZ 4.16Å; P35-F78 HydrophobicContact CG-CE1 4.13Å; P35-F78 HydrophobicContact CG-CZ 4.08Å; P35-F305 HydrophobicContact CG-CB 4.22Å; P35-D308 HydrophobicContact CB-CB 4.36Å; P35-A309 HydrophobicContact CB-CB 4.09Å; P35-A309 HydrophobicContact CG-CB 4.43Å
36T96Very high94.2Very high37 Ų3741.9 Ų41.923%0.22724%0.237CC..Hα-helixtrans-63.9-45177-49.70000111.4N34 L39 Q40 D308N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 3.31Å; N34-T36 WeakPolarHBondContact OD1-CA 3.35Å; N34-T36 WeakPolarHBondContact OD1-CB 3.19Å; N34-T36 PolarHBondContact OD1-N 2.97Å; T36-L39 PolarHBondContact O-N 2.77Å; T36-Q40 VanDerWaalsContact O-CG 3.3Å; T36-Q40 WeakPolarHBondContact O-CG 3.3Å; T36-Q40 PolarHBondContact O-N 3.2Å; T36-D308 WeakPolarHBondContact CB-OD2 3.28Å; T36-D308 WeakPolarHBondContact CG2-OD2 3.35Å; T36-D308 PolarHBondContact OG1-OD2 2.81Å
37L96.1Very high94.3Very high19 Ų1941.6 Ų41.610%0.09924%0.235CC..Hα-helixtrans-70-40.7-179.4-66.3176.1000112.5D16 N34 Q40 A41D16-L37 VanDerWaalsContact OD1-CD1 3.26Å; D16-L37 WeakPolarHBondContact OD1-CD1 3.43Å; N34-L37 VanDerWaalsContact ND2-CD1 3.34Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.31Å; N34-L37 WeakPolarHBondContact ND2-CG 3.06Å; N34-L37 PolarHBondContact O-N 3.18Å; N34-L37 VanDerWaalsContact O-N 3.09Å; N34-L37 PolarHBondContact OD1-N 2.88Å; L37-Q40 PolarHBondContact O-N 3.17Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.32Å
38I96.5Very high94.5Very high0 Ų034.6 Ų34.60%021%0.211CC..Hα-helixtrans-66.6-41.1175.8-60.5-57.8000110.3T33 N34 Q40 A41 S42 L77 F78 F81 L312T33-I38 HydrophobicContact CG2-CD1 3.99Å; N34-I38 WeakPolarHBondContact O-CG1 3.42Å; N34-I38 PolarHBondContact O-N 3.12Å; I38-Q40 PolarHBondContact O-N 3.36Å; I38-A41 PolarHBondContact O-N 3.39Å; I38-S42 WeakPolarHBondContact O-CB 3.47Å; I38-S42 PolarHBondContact O-N 2.82Å; I38-S42 PolarHBondContact O-OG 2.9Å; I38-L77 HydrophobicContact CG2-CG 4.5Å; I38-F78 HydrophobicContact CB-CE2 4.29Å; I38-F78 HydrophobicContact CB-CZ 4.22Å; I38-F78 HydrophobicContact CG1-CD1 4.14Å; I38-F78 HydrophobicContact CG1-CE1 4.05Å; I38-F78 HydrophobicContact CG1-CE2 4.48Å; I38-F78 HydrophobicContact CG1-CG 4.4Å; I38-F78 HydrophobicContact CG1-CZ 4.23Å; I38-F78 HydrophobicContact CG2-CD2 4.14Å; I38-F78 HydrophobicContact CG2-CE2 3.98Å; I38-F78 HydrophobicContact CG2-CZ 4.41Å; I38-F81 HydrophobicContact CD1-CB 3.61Å; I38-F81 HydrophobicContact CD1-CD1 4.06Å; I38-F81 HydrophobicContact CD1-CD2 4.13Å; I38-F81 HydrophobicContact CD1-CG 3.67Å; I38-F81 HydrophobicContact CG2-CD2 4.03Å; I38-F81 HydrophobicContact CG2-CE2 4.17Å; I38-L312 HydrophobicContact CB-CD2 4.49Å; I38-L312 HydrophobicContact CG2-CD2 3.73Å
39L96.1Very high94.6Very high40 Ų4040.2 Ų40.221%0.20924%0.24CC..Hα-helixtrans-58.8-47.8174.5175.861.6000111.4P35 T36 A41 S42 G43 D308 V311 L312P35-L39 WeakPolarHBondContact O-CB 3.4Å; P35-L39 PolarHBondContact O-N 3.5Å; T36-L39 PolarHBondContact O-N 2.77Å; L39-A41 PolarHBondContact O-N 3.04Å; L39-S42 WeakPolarHBondContact CA-OG 3.24Å; L39-S42 PolarHBondContact O-N 3.06Å; L39-S42 PolarHBondContact O-OG 3.46Å; L39-G43 PolarHBondContact O-N 3.44Å; L39-D308 HydrophobicContact CD2-CB 3.9Å; L39-V311 HydrophobicContact CD1-CB 4.25Å; L39-V311 HydrophobicContact CD1-CG1 3.78Å; L39-V311 HydrophobicContact CD2-CB 4.06Å; L39-V311 HydrophobicContact CD2-CG1 4.12Å; L39-L312 HydrophobicContact CD1-CB 4.31Å; L39-L312 HydrophobicContact CD1-CD1 4.5Å
40Q94.7Very high94.7Very high122 Ų12237 Ų3757%0.5723%0.226SC*.Hα-helixtrans-59.2-47.8177.4-74.8172.4-7.700112.1T36 L37 I38 G43T36-Q40 VanDerWaalsContact O-CG 3.3Å; T36-Q40 WeakPolarHBondContact O-CG 3.3Å; T36-Q40 PolarHBondContact O-N 3.2Å; L37-Q40 PolarHBondContact O-N 3.17Å; I38-Q40 PolarHBondContact O-N 3.36Å; Q40-G43 PolarHBondContact O-N 3.17Å
41A94.3Very high94.6Very high1 Ų137 Ų371%0.00823%0.226CC..Hα-helixtrans-66.4-40.6179.200000111.8L37 I38 L39 G43 M44 Y47 F81L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.32Å; I38-A41 PolarHBondContact O-N 3.39Å; L39-A41 PolarHBondContact O-N 3.04Å; A41-G43 PolarHBondContact O-N 3.41Å; A41-M44 VanDerWaalsContact O-CB 3.29Å; A41-M44 WeakPolarHBondContact O-CB 3.47Å; A41-M44 WeakPolarHBondContact O-CG 3.3Å; A41-M44 PolarHBondContact O-N 2.94Å; A41-Y47 HydrophobicContact CB-CD2 4.12Å; A41-Y47 HydrophobicContact CB-CE2 4.3Å; A41-Y47 WeakPolarHBondContact O-CD2 3.35Å; A41-F81 HydrophobicContact CB-CD1 4.37Å; A41-F81 HydrophobicContact CB-CE1 3.49Å; A41-F81 VanDerWaalsContact CB-CE1 3.49Å; A41-F81 HydrophobicContact CB-CZ 3.89Å
42S91.9Very high94.6Very high10 Ų1041.5 Ų41.57%0.0725%0.247CC..Hα-helixtrans-60.5-21178.174.50000114I38 L39 M44 I51 L312I38-S42 WeakPolarHBondContact O-CB 3.47Å; I38-S42 PolarHBondContact O-N 2.82Å; I38-S42 PolarHBondContact O-OG 2.9Å; L39-S42 WeakPolarHBondContact CA-OG 3.24Å; L39-S42 PolarHBondContact O-N 3.06Å; L39-S42 PolarHBondContact O-OG 3.46Å; S42-M44 VanDerWaalsContact C-N 3.27Å; S42-I51 WeakPolarHBondContact O-CD1 3.3Å; S42-L312 WeakPolarHBondContact OG-CD1 3.34Å
43G91.3Very high94.6Very high70 Ų7043.5 Ų43.572%0.72226%0.261SS*.THydrogen-bonded Turntrans-76.3-10.4173.100000114.3L39 Q40 A41L39-G43 PolarHBondContact O-N 3.44Å; Q40-G43 PolarHBondContact O-N 3.17Å; A41-G43 PolarHBondContact O-N 3.41Å
44M91.3Very high94.7Very high69 Ų6943.5 Ų43.534%0.3426%0.261SS..SBendtrans-86.6125.8-179.9-56.3179.9-179.500110.3D19 A41 S42 Q46 Y47D19-M44 HydrophobicContact CB-CE 4.2Å; D19-M44 HydrophobicContact CB-SD 4.32Å; A41-M44 VanDerWaalsContact O-CB 3.29Å; A41-M44 WeakPolarHBondContact O-CB 3.47Å; A41-M44 WeakPolarHBondContact O-CG 3.3Å; A41-M44 PolarHBondContact O-N 2.94Å; S42-M44 VanDerWaalsContact C-N 3.27Å; M44-Q46 HydrophobicContact CB-CG 4.21Å; M44-Q46 PolarHBondContact O-N 2.79Å; M44-Q46 VanDerWaalsContact O-N 3.11Å; M44-Y47 HydrophobicContact CB-CD2 3.92Å; M44-Y47 HydrophobicContact CB-CE2 4.27Å; M44-Y47 HydrophobicContact CG-CD2 4.49Å; M44-Y47 PolarHBondContact O-N 3.32Å; M44-Y47 HydrophobicContact SD-CD2 4.17Å; M44-Y47 HydrophobicContact SD-CE2 3.67Å
45A90.3Very high94.8Very high101 Ų10143.6 Ų43.684%0.83526%0.261SS*.G310 helixtrans-55.7-33.9-175.500000113.7Y47 G48A45-Y47 PolarHBondContact O-N 3.3Å; A45-Y47 VanDerWaalsContact O-N 3.14Å; A45-G48 PolarHBondContact O-N 3.34Å; A45-G48 VanDerWaalsContact O-N 3.17Å
46Q91.9Very high95Very high101 Ų10149.6 Ų49.647%0.47229%0.289SS..G310 helixtrans-66-10.1179.169.4-156.931.900114.8M44M44-Q46 HydrophobicContact CB-CG 4.21Å; M44-Q46 PolarHBondContact O-N 2.79Å; M44-Q46 VanDerWaalsContact O-N 3.11Å
47Y91.8Very high95.1Very high14 Ų1449.6 Ų49.66%0.05529%0.285CS..G310 helixtrans-111.213.3177.4-56.2-37.5000113D19 F20 A41 M44 A45 D49 L50 F81D19-Y47 HydrophobicContact CB-CE2 4.49Å; D19-Y47 PolarHBondContact OD1-OH 3.14Å; F20-Y47 AromaticContact CD2-CD1 3.99Å; F20-Y47 HydrophobicContact CD2-CD1 3.99Å; F20-Y47 AromaticContact CD2-CE1 3.29Å; F20-Y47 HydrophobicContact CD2-CE1 3.29Å; F20-Y47 AromaticContact CD2-CZ 3.79Å; F20-Y47 AromaticContact CE2-CD1 3.7Å; F20-Y47 HydrophobicContact CE2-CD1 3.7Å; F20-Y47 AromaticContact CE2-CE1 3.51Å; F20-Y47 HydrophobicContact CE2-CE1 3.51Å; F20-Y47 HydrophobicContact CG-CE1 4.08Å; F20-Y47 HydrophobicContact CZ-CE1 4.43Å; F20-Y47 PolarHBondContact N-OH 2.85Å; A41-Y47 HydrophobicContact CB-CD2 4.12Å; A41-Y47 HydrophobicContact CB-CE2 4.3Å; A41-Y47 WeakPolarHBondContact O-CD2 3.35Å; M44-Y47 HydrophobicContact CB-CD2 3.92Å; M44-Y47 HydrophobicContact CB-CE2 4.27Å; M44-Y47 HydrophobicContact CG-CD2 4.49Å; M44-Y47 PolarHBondContact O-N 3.32Å; M44-Y47 HydrophobicContact SD-CD2 4.17Å; M44-Y47 HydrophobicContact SD-CE2 3.67Å; A45-Y47 PolarHBondContact O-N 3.3Å; A45-Y47 VanDerWaalsContact O-N 3.14Å; Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 PolarHBondContact O-N 3.41Å; Y47-L50 PolarHBondContact O-N 3.14Å; Y47-L50 VanDerWaalsContact O-N 3.16Å; Y47-F81 HydrophobicContact CD2-CE1 4.06Å; Y47-F81 HydrophobicContact CD2-CZ 4.31Å; Y47-F81 HydrophobicContact CG-CE1 4.26Å; Y47-F81 HydrophobicContact CG-CZ 4.34Å
48G92.1Very high95.2Very high20 Ų2048.7 Ų48.721%0.20628%0.28CS..Hα-helixtrans-53.8-43.8176.600000112.9A45 L50 I51 E52A45-G48 PolarHBondContact O-N 3.34Å; A45-G48 VanDerWaalsContact O-N 3.17Å; G48-L50 PolarHBondContact O-N 2.93Å; G48-L50 VanDerWaalsContact O-N 3.16Å; G48-I51 WeakPolarHBondContact O-CA 3.48Å; G48-I51 WeakPolarHBondContact O-CB 3.37Å; G48-I51 PolarHBondContact O-N 2.99Å; G48-E52 PolarHBondContact O-N 3.15Å
49D96.2Very high95.2Very high123 Ų12353.6 Ų53.666%0.65830%0.303SS*.Hα-helixtrans-57.8-31.8-179.8-59.73.2000112.8Y47 I51 E52 S53Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 PolarHBondContact O-N 3.41Å; D49-I51 VanDerWaalsContact C-N 3.35Å; D49-E52 PolarHBondContact O-N 3.18Å; D49-S53 WeakPolarHBondContact O-CB 3.38Å; D49-S53 PolarHBondContact O-N 2.8Å
50L97.3Very high95.3Very high22 Ų2255 Ų5512%0.11532%0.317CS..Hα-helixtrans-70.5-34.4177.8-59.7-177.4000112.1F20 Y47 G48 A54 L77 N80 F81 E84F20-L50 HydrophobicContact CE2-CD1 3.72Å; F20-L50 HydrophobicContact CZ-CD1 3.55Å; Y47-L50 PolarHBondContact O-N 3.14Å; Y47-L50 VanDerWaalsContact O-N 3.16Å; G48-L50 PolarHBondContact O-N 2.93Å; G48-L50 VanDerWaalsContact O-N 3.16Å; L50-A54 WeakPolarHBondContact O-CB 3.25Å; L50-A54 PolarHBondContact O-N 2.76Å; L50-L77 HydrophobicContact CB-CD1 4.32Å; L50-N80 HydrophobicContact CB-CB 4.39Å; L50-N80 HydrophobicContact CD2-CB 4.25Å; L50-N80 PolarHBondContact O-ND2 3.26Å; L50-N80 VanDerWaalsContact O-ND2 3.09Å; L50-F81 HydrophobicContact CB-CE2 4.34Å; L50-F81 HydrophobicContact CD1-CD1 4.1Å; L50-F81 HydrophobicContact CD1-CD2 4.1Å; L50-F81 HydrophobicContact CD1-CE1 3.98Å; L50-F81 HydrophobicContact CD1-CE2 4.01Å; L50-F81 HydrophobicContact CD1-CG 4.14Å; L50-F81 HydrophobicContact CD1-CZ 3.94Å; L50-E84 HydrophobicContact CD1-CG 4.28Å; L50-E84 HydrophobicContact CD2-CG 3.87Å
51I96.6Very high95.4Very high7 Ų754 Ų544%0.03631%0.308CS..Hα-helixtrans-70.5-46.6175.3-58.8176.5000109.5S42 G48 D49 A54 I55 L77 L315 L316 K319S42-I51 WeakPolarHBondContact O-CD1 3.3Å; G48-I51 WeakPolarHBondContact O-CA 3.48Å; G48-I51 WeakPolarHBondContact O-CB 3.37Å; G48-I51 PolarHBondContact O-N 2.99Å; D49-I51 VanDerWaalsContact C-N 3.35Å; I51-A54 PolarHBondContact O-N 2.91Å; I51-I55 HydrophobicContact CG2-CD1 3.96Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 3.48Å; I51-L77 HydrophobicContact CG1-CD1 4.05Å; I51-L315 HydrophobicContact CD1-CD2 4.39Å; I51-L316 HydrophobicContact CG2-CD2 3.79Å; I51-K319 HydrophobicContact CG2-CD 3.87Å
52E97.3Very high95.4Very high95 Ų9562.7 Ų62.744%0.44435%0.348SS..Hα-helixtrans-61.1-47.4178.5-69.1175.7-176.400110.9G48 D49 A54 I55 E56G48-E52 PolarHBondContact O-N 3.15Å; D49-E52 PolarHBondContact O-N 3.18Å; E52-A54 VanDerWaalsContact C-N 3.27Å; E52-A54 PolarHBondContact O-N 3.48Å; E52-I55 WeakPolarHBondContact O-CB 3.45Å; E52-I55 PolarHBondContact O-N 3.28Å; E52-I55 VanDerWaalsContact O-N 3.11Å; E52-E56 WeakPolarHBondContact O-CG 3.22Å; E52-E56 PolarHBondContact O-N 3.46Å
53S98.1Very high95.5Very high46 Ų4666.1 Ų66.132%0.32238%0.384SS..Hα-helixtrans-57-38.5174.2174.60000113D49 Y57 N80D49-S53 WeakPolarHBondContact O-CB 3.38Å; D49-S53 PolarHBondContact O-N 2.8Å; S53-Y57 VanDerWaalsContact O-CB 3.27Å; S53-Y57 WeakPolarHBondContact O-CB 3.4Å; S53-Y57 PolarHBondContact O-N 3.3Å; S53-N80 PolarHBondContact OG-ND2 2.68Å
54A98.3Very high95.8Very high0 Ų065.3 Ų65.30%036%0.364CS..Hα-helixtrans-69.2-38178.600000112.3L50 I51 E52 A58 A73 K76 L77L50-A54 WeakPolarHBondContact O-CB 3.25Å; L50-A54 PolarHBondContact O-N 2.76Å; I51-A54 PolarHBondContact O-N 2.91Å; E52-A54 VanDerWaalsContact C-N 3.27Å; E52-A54 PolarHBondContact O-N 3.48Å; A54-A58 PolarHBondContact O-N 3.07Å; A54-A58 VanDerWaalsContact O-N 3.1Å; A54-A73 WeakPolarHBondContact CB-O 3.01Å; A54-K76 HydrophobicContact CB-CB 4.15Å; A54-K76 HydrophobicContact CB-CG 4.02Å; A54-L77 HydrophobicContact CB-CB 3.8Å; A54-L77 HydrophobicContact CB-CD1 4.31Å
55I98.1Very high96.1Very high14 Ų1465.8 Ų65.87%0.07237%0.37CS..Hα-helixtrans-66.3-51.1175.9-72.6167.6000110.7I51 E52 Y57 A58 Q59 L316 K319 M320I51-I55 HydrophobicContact CG2-CD1 3.96Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 3.48Å; E52-I55 WeakPolarHBondContact O-CB 3.45Å; E52-I55 PolarHBondContact O-N 3.28Å; E52-I55 VanDerWaalsContact O-N 3.11Å; I55-Y57 VanDerWaalsContact C-N 3.28Å; I55-Y57 PolarHBondContact O-N 3.06Å; I55-A58 PolarHBondContact O-N 2.79Å; I55-A58 VanDerWaalsContact O-N 3.12Å; I55-Q59 HydrophobicContact CG2-CG 4.32Å; I55-Q59 WeakPolarHBondContact O-CB 3.29Å; I55-Q59 WeakPolarHBondContact O-CG 3.31Å; I55-Q59 PolarHBondContact O-N 3.24Å; I55-L316 HydrophobicContact CD1-CD2 4.12Å; I55-L316 HydrophobicContact CG1-CD2 3.91Å; I55-K319 HydrophobicContact CD1-CB 3.46Å; I55-K319 VanDerWaalsContact CD1-CB 3.46Å; I55-K319 HydrophobicContact CD1-CD 3.75Å; I55-K319 HydrophobicContact CD1-CG 4.25Å; I55-M320 HydrophobicContact CB-CG 4.16Å; I55-M320 HydrophobicContact CB-SD 4.35Å; I55-M320 HydrophobicContact CD1-CG 4.34Å; I55-M320 HydrophobicContact CG1-CG 3.83Å; I55-M320 HydrophobicContact CG1-SD 4.14Å; I55-M320 HydrophobicContact CG2-CG 3.5Å; I55-M320 VanDerWaalsContact CG2-CG 3.5Å; I55-M320 HydrophobicContact CG2-SD 4.06Å
56E98.2Very high96.4Very high130 Ų13063 Ų6361%0.60735%0.347SS*.Hα-helixtrans-57.9-43.4178.5-72.3177173.700111.2E52 A58 Q59 S60E52-E56 WeakPolarHBondContact O-CG 3.22Å; E52-E56 PolarHBondContact O-N 3.46Å; E56-A58 PolarHBondContact O-N 2.93Å; E56-Q59 PolarHBondContact O-N 2.71Å; E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 3.22Å
57Y98.5Very high96.6Very high38 Ų3862.5 Ų62.515%0.14935%0.348CS..Hα-helixtrans-59.1-47.4175.8-177.5-87.1000111.6S53 I55 S60 R61 L72 K76 L118 E121S53-Y57 VanDerWaalsContact O-CB 3.27Å; S53-Y57 WeakPolarHBondContact O-CB 3.4Å; S53-Y57 PolarHBondContact O-N 3.3Å; I55-Y57 VanDerWaalsContact C-N 3.28Å; I55-Y57 PolarHBondContact O-N 3.06Å; Y57-S60 PolarHBondContact O-N 2.58Å; Y57-S60 PolarHBondContact O-OG 3.44Å; Y57-R61 PolarHBondContact OH-NH2 2.99Å; Y57-L72 HydrophobicContact CD1-CD1 4.48Å; Y57-L72 HydrophobicContact CD1-CD2 4.43Å; Y57-L72 HydrophobicContact CD1-CG 4.25Å; Y57-L72 HydrophobicContact CE1-CD1 3.95Å; Y57-L72 HydrophobicContact CE1-CD2 4.25Å; Y57-L72 HydrophobicContact CE1-CG 4.15Å; Y57-K76 HydrophobicContact CD1-CB 4.02Å; Y57-K76 HydrophobicContact CD1-CD 4.02Å; Y57-K76 HydrophobicContact CD1-CG 3.86Å; Y57-K76 HydrophobicContact CD2-CD 4.11Å; Y57-K76 HydrophobicContact CE1-CD 4.44Å; Y57-K76 HydrophobicContact CE2-CD 4.48Å; Y57-K76 HydrophobicContact CG-CB 4.46Å; Y57-K76 HydrophobicContact CG-CD 3.86Å; Y57-K76 HydrophobicContact CG-CG 3.8Å; Y57-L118 HydrophobicContact CE1-CD2 3.62Å; Y57-L118 HydrophobicContact CE2-CD2 4.38Å; Y57-L118 VanDerWaalsContact CZ-CD2 3.48Å; Y57-L118 WeakPolarHBondContact OH-CD2 3.5Å; Y57-E121 VanDerWaalsContact CE2-OE2 3.31Å; Y57-E121 WeakPolarHBondContact CE2-OE2 3.44Å; Y57-E121 PolarHBondContact OH-OE1 3.48Å; Y57-E121 PolarHBondContact OH-OE2 2.88Å
58A98.2Very high96.9Very high0 Ų065.9 Ų65.90%036%0.364CS..Hα-helixtrans-63.4-48.4178.700000111.5A54 I55 E56 S60 R61 Y69 L72 A73 M320A54-A58 PolarHBondContact O-N 3.07Å; A54-A58 VanDerWaalsContact O-N 3.1Å; I55-A58 PolarHBondContact O-N 2.79Å; I55-A58 VanDerWaalsContact O-N 3.12Å; E56-A58 PolarHBondContact O-N 2.93Å; A58-S60 PolarHBondContact O-N 3.46Å; A58-R61 WeakPolarHBondContact O-CB 3.06Å; A58-R61 PolarHBondContact O-N 3.02Å; A58-R61 VanDerWaalsContact O-N 3.08Å; A58-Y69 HydrophobicContact CB-CD1 4.37Å; A58-Y69 WeakPolarHBondContact O-CD1 3.49Å; A58-Y69 WeakPolarHBondContact O-CE1 3.41Å; A58-L72 HydrophobicContact CB-CB 4.29Å; A58-L72 HydrophobicContact CB-CD2 4.35Å; A58-L72 HydrophobicContact CB-CG 4.28Å; A58-A73 HydrophobicContact CB-CB 3.83Å; A58-M320 HydrophobicContact CB-SD 4.34Å
59Q97.3Very high97.1Very high103 Ų10367 Ų6748%0.48136%0.363SS..Hα-helixtrans-67-18.5-179.9-70.9179.6-31.300113.8I55 E56 R61 M320I55-Q59 HydrophobicContact CG2-CG 4.32Å; I55-Q59 WeakPolarHBondContact O-CB 3.29Å; I55-Q59 WeakPolarHBondContact O-CG 3.31Å; I55-Q59 PolarHBondContact O-N 3.24Å; E56-Q59 PolarHBondContact O-N 2.71Å; Q59-R61 PolarHBondContact O-N 2.95Å; Q59-M320 HydrophobicContact CG-SD 4.26Å
60S97.6Very high97.2Very high70 Ų7061.2 Ų61.249%0.4933%0.331SS..THydrogen-bonded Turntrans-69.5-16.4172.280.20000113.4E56 Y57 A58E56-S60 WeakPolarHBondContact O-CB 3.48Å; E56-S60 PolarHBondContact O-N 3.22Å; Y57-S60 PolarHBondContact O-N 2.58Å; Y57-S60 PolarHBondContact O-OG 3.44Å; A58-S60 PolarHBondContact O-N 3.46Å
61R96.7Very high97.2Very high101 Ų10162.1 Ų62.138%0.38134%0.336SS..SBendtrans-85.8156.7176-54.1-46.7-174.4-162.84.6110.1Y57 A58 Q59 L64 Y69 L72Y57-R61 PolarHBondContact OH-NH2 2.99Å; A58-R61 WeakPolarHBondContact O-CB 3.06Å; A58-R61 PolarHBondContact O-N 3.02Å; A58-R61 VanDerWaalsContact O-N 3.08Å; Q59-R61 PolarHBondContact O-N 2.95Å; R61-L64 HydrophobicContact CB-CD1 3.81Å; R61-L64 HydrophobicContact CB-CG 4.34Å; R61-L64 HydrophobicContact CG-CD1 4.46Å; R61-Y69 PolarHBondContact O-OH 2.73Å; R61-L72 HydrophobicContact CB-CD2 4.34Å; R61-L72 HydrophobicContact CG-CD2 3.59Å
62Q94.6Very high97.3Very high183 Ų18362.5 Ų62.586%0.85534%0.338SS*.  trans-122.5154.6180-65.5-172.8-13.100110.4L64Q62-L64 VanDerWaalsContact C-N 3.28Å; Q62-L64 PolarHBondContact O-N 2.91Å
63G94.5Very high97.3Very high81 Ų8158 Ų5884%0.83532%0.317SS*.SBendtrans76.68.3173.700000115.4
64L96.6Very high97.3Very high54 Ų5456.1 Ų56.128%0.28330%0.303SS..  trans-83.2146.7175.7-58.9-176.2000111.3R61 Q62 E68 Y69 L72R61-L64 HydrophobicContact CB-CD1 3.81Å; R61-L64 HydrophobicContact CB-CG 4.34Å; R61-L64 HydrophobicContact CG-CD1 4.46Å; Q62-L64 VanDerWaalsContact C-N 3.28Å; Q62-L64 PolarHBondContact O-N 2.91Å; L64-E68 HydrophobicContact CB-CB 3.86Å; L64-E68 HydrophobicContact CD1-CB 4.45Å; L64-E68 HydrophobicContact CD2-CB 4.13Å; L64-E68 HydrophobicContact CG-CB 4.37Å; L64-Y69 HydrophobicContact CB-CD1 4.18Å; L64-Y69 HydrophobicContact CB-CD2 3.84Å; L64-Y69 HydrophobicContact CB-CE1 4.05Å; L64-Y69 HydrophobicContact CB-CE2 3.73Å; L64-Y69 HydrophobicContact CB-CG 4.07Å; L64-Y69 HydrophobicContact CD1-CD1 3.97Å; L64-Y69 HydrophobicContact CD1-CE1 4.04Å; L64-Y69 HydrophobicContact CD1-CG 4.46Å; L64-Y69 HydrophobicContact CG-CE1 4.38Å; L64-Y69 WeakPolarHBondContact O-CE2 3.34Å; L64-L72 HydrophobicContact CD1-CD2 3.86Å
65T97.3Very high97.3Very high78 Ų7856.5 Ų56.548%0.47931%0.306SS..  trans-71.1163.5165.961.50000111.1D67 E68 Y69T65-D67 PolarHBondContact O-N 3.21Å; T65-E68 WeakPolarHBondContact CB-OE2 3.49Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.45Å; T65-E68 PolarHBondContact N-OE2 3.33Å; T65-E68 PolarHBondContact O-N 2.94Å; T65-E68 VanDerWaalsContact O-N 3.11Å; T65-E68 VanDerWaalsContact OG1-CG 3.28Å; T65-E68 WeakPolarHBondContact OG1-CG 3.25Å; T65-E68 PolarHBondContact OG1-N 3.35Å; T65-E68 PolarHBondContact OG1-OE2 2.97Å; T65-Y69 VanDerWaalsContact O-CD2 3.28Å; T65-Y69 WeakPolarHBondContact O-CD2 3.28Å; T65-Y69 PolarHBondContact O-N 3.16Å
66A96.8Very high97.4Very high42 Ų4256.1 Ų56.135%0.34730%0.303SS..Hα-helixtrans-55.5-37175.800000112.7A70 L322A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.38Å; A66-A70 VanDerWaalsContact O-N 3.11Å; A66-L322 HydrophobicContact CB-CB 4.27Å; A66-L322 HydrophobicContact CB-CD2 4.38Å
67D96.7Very high97.4Very high92 Ų9249.9 Ų49.949%0.49227%0.274SS..Hα-helixtrans-70.4-39.9177.4-71.2-10.8000112T65 A70 L71 R317T65-D67 PolarHBondContact O-N 3.21Å; D67-A70 PolarHBondContact O-N 2.96Å; D67-L71 WeakPolarHBondContact O-CB 3.18Å; D67-L71 VanDerWaalsContact O-CG 3.28Å; D67-L71 WeakPolarHBondContact O-CG 3.42Å; D67-L71 PolarHBondContact O-N 3.1Å; D67-R317 IonicContact OD1-CZ 2.62Å; D67-R317 IonicContact OD1-NH1 2.79Å; D67-R317 PolarHBondContact OD1-NH1 3.03Å; D67-R317 IonicContact OD1-NH2 3.73Å; D67-R317 PolarHBondContact OD1-NH2 2.85Å
68E97.2Very high97.3Very high84 Ų8448.6 Ų48.639%0.39327%0.269SS..Hα-helixtrans-67.4-38.7176.5-73.3166.3136.200112.5L64 T65 L71 L72L64-E68 HydrophobicContact CB-CB 3.86Å; L64-E68 HydrophobicContact CD1-CB 4.45Å; L64-E68 HydrophobicContact CD2-CB 4.13Å; L64-E68 HydrophobicContact CG-CB 4.37Å; T65-E68 WeakPolarHBondContact CB-OE2 3.49Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.45Å; T65-E68 PolarHBondContact N-OE2 3.33Å; T65-E68 PolarHBondContact O-N 2.94Å; T65-E68 VanDerWaalsContact O-N 3.11Å; T65-E68 VanDerWaalsContact OG1-CG 3.28Å; T65-E68 WeakPolarHBondContact OG1-CG 3.25Å; T65-E68 PolarHBondContact OG1-N 3.35Å; T65-E68 PolarHBondContact OG1-OE2 2.97Å; E68-L71 PolarHBondContact O-N 3.4Å; E68-L72 VanDerWaalsContact O-CB 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.37Å; E68-L72 PolarHBondContact O-N 3.45Å
69Y98.1Very high97.4Very high45 Ų4548.6 Ų48.618%0.17627%0.269CS..Hα-helixtrans-61.1-45.3171.6-79.8-64.5000111.6A58 R61 L64 T65 L72 A73 L322A58-Y69 HydrophobicContact CB-CD1 4.37Å; A58-Y69 WeakPolarHBondContact O-CD1 3.49Å; A58-Y69 WeakPolarHBondContact O-CE1 3.41Å; R61-Y69 PolarHBondContact O-OH 2.73Å; L64-Y69 HydrophobicContact CB-CD1 4.18Å; L64-Y69 HydrophobicContact CB-CD2 3.84Å; L64-Y69 HydrophobicContact CB-CE1 4.05Å; L64-Y69 HydrophobicContact CB-CE2 3.73Å; L64-Y69 HydrophobicContact CB-CG 4.07Å; L64-Y69 HydrophobicContact CD1-CD1 3.97Å; L64-Y69 HydrophobicContact CD1-CE1 4.04Å; L64-Y69 HydrophobicContact CD1-CG 4.46Å; L64-Y69 HydrophobicContact CG-CE1 4.38Å; L64-Y69 WeakPolarHBondContact O-CE2 3.34Å; T65-Y69 VanDerWaalsContact O-CD2 3.28Å; T65-Y69 WeakPolarHBondContact O-CD2 3.28Å; T65-Y69 PolarHBondContact O-N 3.16Å; Y69-L72 PolarHBondContact O-N 3.26Å; Y69-A73 WeakPolarHBondContact O-CB 3.07Å; Y69-A73 PolarHBondContact O-N 3.36Å; Y69-L322 HydrophobicContact CD2-CD2 4.49Å
70A97.7Very high97.4Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-62.7-43.4178.800000112A66 D67 M74 E313 R317 L322A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.38Å; A66-A70 VanDerWaalsContact O-N 3.11Å; D67-A70 PolarHBondContact O-N 2.96Å; A70-M74 WeakPolarHBondContact O-CB 3.24Å; A70-M74 VanDerWaalsContact O-CG 3.27Å; A70-M74 WeakPolarHBondContact O-CG 3.33Å; A70-M74 PolarHBondContact O-N 3.19Å; A70-E313 HydrophobicContact CB-CG 4.1Å; A70-R317 HydrophobicContact CB-CG 3.77Å; A70-L322 HydrophobicContact CB-CD1 4.39Å
71L97.2Very high97.4Very high41 Ų4140.7 Ų40.722%0.21523%0.225CC..Hα-helixtrans-64.9-43176.4-71.7174.3000112.1D67 E68 M74 D75D67-L71 WeakPolarHBondContact O-CB 3.18Å; D67-L71 VanDerWaalsContact O-CG 3.28Å; D67-L71 WeakPolarHBondContact O-CG 3.42Å; D67-L71 PolarHBondContact O-N 3.1Å; E68-L71 PolarHBondContact O-N 3.4Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 3.05Å; L71-D75 PolarHBondContact O-N 3Å
72L98.2Very high97.5Very high15 Ų1535.9 Ų35.98%0.07921%0.207CC..Hα-helixtrans-65.2-41.6178.5-174.759.3000112Y57 A58 R61 L64 E68 Y69 M74 D75 K76Y57-L72 HydrophobicContact CD1-CD1 4.48Å; Y57-L72 HydrophobicContact CD1-CD2 4.43Å; Y57-L72 HydrophobicContact CD1-CG 4.25Å; Y57-L72 HydrophobicContact CE1-CD1 3.95Å; Y57-L72 HydrophobicContact CE1-CD2 4.25Å; Y57-L72 HydrophobicContact CE1-CG 4.15Å; A58-L72 HydrophobicContact CB-CB 4.29Å; A58-L72 HydrophobicContact CB-CD2 4.35Å; A58-L72 HydrophobicContact CB-CG 4.28Å; R61-L72 HydrophobicContact CB-CD2 4.34Å; R61-L72 HydrophobicContact CG-CD2 3.59Å; L64-L72 HydrophobicContact CD1-CD2 3.86Å; E68-L72 VanDerWaalsContact O-CB 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.37Å; E68-L72 PolarHBondContact O-N 3.45Å; Y69-L72 PolarHBondContact O-N 3.26Å; L72-M74 VanDerWaalsContact C-N 3.34Å; L72-D75 PolarHBondContact O-N 2.92Å; L72-K76 VanDerWaalsContact O-CB 3.29Å; L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 PolarHBondContact O-N 3.17Å
73A98.2Very high97.7Very high0 Ų027.6 Ų27.60%017%0.169CC..Hα-helixtrans-63.6-40.1174.600000111.5A54 A58 Y69 L77 L316 M320A54-A73 WeakPolarHBondContact CB-O 3.01Å; A58-A73 HydrophobicContact CB-CB 3.83Å; Y69-A73 WeakPolarHBondContact O-CB 3.07Å; Y69-A73 PolarHBondContact O-N 3.36Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 2.93Å; A73-L316 HydrophobicContact CB-CD1 4.05Å; A73-M320 HydrophobicContact CB-CE 3.56Å; A73-M320 HydrophobicContact CB-SD 4.15Å
74M98.1Very high97.8Very high7 Ų726.4 Ų26.43%0.03414%0.141CC..Hα-helixtrans-61-51.5174.3-78.6-71.3-67.300111.6A70 L71 L72 K76 L77 F78 A309 L312 E313 L316A70-M74 WeakPolarHBondContact O-CB 3.24Å; A70-M74 VanDerWaalsContact O-CG 3.27Å; A70-M74 WeakPolarHBondContact O-CG 3.33Å; A70-M74 PolarHBondContact O-N 3.19Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 3.05Å; L72-M74 VanDerWaalsContact C-N 3.34Å; M74-K76 VanDerWaalsContact C-N 3.35Å; M74-K76 PolarHBondContact O-N 2.97Å; M74-L77 WeakPolarHBondContact O-CB 3.39Å; M74-L77 PolarHBondContact O-N 2.66Å; M74-F78 HydrophobicContact CE-CE2 3.78Å; M74-F78 HydrophobicContact CE-CZ 4.36Å; M74-F78 VanDerWaalsContact O-CD2 3.23Å; M74-F78 WeakPolarHBondContact O-CD2 3.28Å; M74-F78 PolarHBondContact O-N 3.27Å; M74-F78 VanDerWaalsContact O-N 3.1Å; M74-A309 HydrophobicContact CE-CB 4.19Å; M74-L312 HydrophobicContact CE-CB 4.22Å; M74-L312 HydrophobicContact CE-CD2 4.03Å; M74-L312 HydrophobicContact CE-CG 4.27Å; M74-L312 HydrophobicContact SD-CB 3.98Å; M74-L312 HydrophobicContact SD-CD2 3.94Å; M74-L312 HydrophobicContact SD-CG 3.69Å; M74-E313 HydrophobicContact CG-CB 4.24Å; M74-E313 HydrophobicContact CG-CG 4.31Å; M74-E313 HydrophobicContact SD-CB 4.12Å; M74-L316 HydrophobicContact CB-CD1 4.39Å; M74-L316 HydrophobicContact CG-CD1 3.69Å; M74-L316 HydrophobicContact SD-CD1 3.51Å; M74-L316 VanDerWaalsContact SD-CD1 3.51Å
75D98.4Very high97.8Very high9 Ų923.8 Ų23.85%0.04813%0.128CC..Hα-helixtrans-59.3-47.6179.6-70.1-13.7000110.6L71 L72 L77 F78 V79 R111 L115 L118L71-D75 PolarHBondContact O-N 3Å; L72-D75 PolarHBondContact O-N 2.92Å; D75-L77 VanDerWaalsContact C-N 3.32Å; D75-L77 PolarHBondContact O-N 2.69Å; D75-F78 PolarHBondContact O-N 2.93Å; D75-V79 WeakPolarHBondContact O-CG2 3.43Å; D75-V79 PolarHBondContact O-N 3.48Å; D75-R111 WeakPolarHBondContact OD1-CD 3.5Å; D75-R111 IonicContact OD1-CZ 3.02Å; D75-R111 IonicContact OD1-NE 3.7Å; D75-R111 IonicContact OD1-NH1 2.76Å; D75-R111 PolarHBondContact OD1-NH1 3.46Å; D75-R111 WeakPolarHBondContact OD2-CD 3.42Å; D75-R111 IonicContact OD2-CZ 2.81Å; D75-R111 IonicContact OD2-NE 3.93Å; D75-R111 PolarHBondContact OD2-NE 3.08Å; D75-R111 IonicContact OD2-NH1 3.22Å; D75-L115 HydrophobicContact CB-CD2 3.86Å; D75-L118 HydrophobicContact CB-CD1 3.83Å
76K98.5Very high97.8Very high5 Ų520.9 Ų20.92%0.02211%0.109CC..Hα-helixtrans-61.8-39177.9-178.261.2173.1174.10112.3A54 Y57 L72 M74 V79 N80 L118 M122A54-K76 HydrophobicContact CB-CB 4.15Å; A54-K76 HydrophobicContact CB-CG 4.02Å; Y57-K76 HydrophobicContact CD1-CB 4.02Å; Y57-K76 HydrophobicContact CD1-CD 4.02Å; Y57-K76 HydrophobicContact CD1-CG 3.86Å; Y57-K76 HydrophobicContact CD2-CD 4.11Å; Y57-K76 HydrophobicContact CE1-CD 4.44Å; Y57-K76 HydrophobicContact CE2-CD 4.48Å; Y57-K76 HydrophobicContact CG-CB 4.46Å; Y57-K76 HydrophobicContact CG-CD 3.86Å; Y57-K76 HydrophobicContact CG-CG 3.8Å; L72-K76 VanDerWaalsContact O-CB 3.29Å; L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 PolarHBondContact O-N 3.17Å; M74-K76 VanDerWaalsContact C-N 3.35Å; M74-K76 PolarHBondContact O-N 2.97Å; K76-V79 PolarHBondContact O-N 3.38Å; K76-N80 WeakPolarHBondContact CE-OD1 3.27Å; K76-N80 PolarHBondContact NZ-OD1 2.96Å; K76-N80 WeakPolarHBondContact O-CB 3.41Å; K76-N80 VanDerWaalsContact O-CG 3.23Å; K76-N80 PolarHBondContact O-N 2.73Å; K76-N80 PolarHBondContact O-OD1 3.31Å; K76-L118 HydrophobicContact CD-CD2 4.38Å; K76-M122 PolarHBondContact NZ-SD 3.47Å
77L98.2Very high97.8Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-62.3-46177.9-178.858.7000111.6I38 L50 I51 A54 A73 M74 D75 V79 N80 F81 L312 L316I38-L77 HydrophobicContact CG2-CG 4.5Å; L50-L77 HydrophobicContact CB-CD1 4.32Å; I51-L77 HydrophobicContact CG1-CD1 4.05Å; A54-L77 HydrophobicContact CB-CB 3.8Å; A54-L77 HydrophobicContact CB-CD1 4.31Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 2.93Å; M74-L77 WeakPolarHBondContact O-CB 3.39Å; M74-L77 PolarHBondContact O-N 2.66Å; D75-L77 VanDerWaalsContact C-N 3.32Å; D75-L77 PolarHBondContact O-N 2.69Å; L77-V79 VanDerWaalsContact C-N 3.3Å; L77-V79 PolarHBondContact O-N 3.42Å; L77-N80 WeakPolarHBondContact O-CB 3.43Å; L77-N80 PolarHBondContact O-N 3.5Å; L77-F81 HydrophobicContact CD1-CD2 3.88Å; L77-F81 HydrophobicContact CD1-CE2 3.7Å; L77-F81 HydrophobicContact CG-CD2 4.22Å; L77-F81 HydrophobicContact CG-CE2 4.25Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 3.47Å; L77-L312 HydrophobicContact CD2-CD1 3.86Å; L77-L312 HydrophobicContact CD2-CD2 3.87Å; L77-L312 HydrophobicContact CD2-CG 4.02Å; L77-L316 HydrophobicContact CD2-CD1 4.24Å; L77-L316 HydrophobicContact CD2-CD2 4.41Å
78F98.2Very high97.8Very high11 Ų1124.3 Ų24.35%0.04811%0.114CC..Hα-helixtrans-62.7-40.3177.4-83.1-124.1000111.3P35 I38 M74 D75 F81 G82 T95 L312P35-F78 HydrophobicContact CB-CZ 4.16Å; P35-F78 HydrophobicContact CG-CE1 4.13Å; P35-F78 HydrophobicContact CG-CZ 4.08Å; I38-F78 HydrophobicContact CB-CE2 4.29Å; I38-F78 HydrophobicContact CB-CZ 4.22Å; I38-F78 HydrophobicContact CG1-CD1 4.14Å; I38-F78 HydrophobicContact CG1-CE1 4.05Å; I38-F78 HydrophobicContact CG1-CE2 4.48Å; I38-F78 HydrophobicContact CG1-CG 4.4Å; I38-F78 HydrophobicContact CG1-CZ 4.23Å; I38-F78 HydrophobicContact CG2-CD2 4.14Å; I38-F78 HydrophobicContact CG2-CE2 3.98Å; I38-F78 HydrophobicContact CG2-CZ 4.41Å; M74-F78 HydrophobicContact CE-CE2 3.78Å; M74-F78 HydrophobicContact CE-CZ 4.36Å; M74-F78 VanDerWaalsContact O-CD2 3.23Å; M74-F78 WeakPolarHBondContact O-CD2 3.28Å; M74-F78 PolarHBondContact O-N 3.27Å; M74-F78 VanDerWaalsContact O-N 3.1Å; D75-F78 PolarHBondContact O-N 2.93Å; F78-F81 PolarHBondContact O-N 3.15Å; F78-G82 PolarHBondContact O-N 3.11Å; F78-T95 HydrophobicContact CB-CG2 4.01Å; F78-T95 HydrophobicContact CD1-CG2 4.46Å; F78-L312 HydrophobicContact CE2-CD2 3.76Å; F78-L312 HydrophobicContact CZ-CD2 4.48Å
79V98.5Very high97.8Very high0 Ų020.6 Ų20.60%010%0.097CC..Hα-helixtrans-64.1-44.6174.3172.30000111.7D75 K76 L77 F81 G82 C83 L115 L118 Y119 M122D75-V79 WeakPolarHBondContact O-CG2 3.43Å; D75-V79 PolarHBondContact O-N 3.48Å; K76-V79 PolarHBondContact O-N 3.38Å; L77-V79 VanDerWaalsContact C-N 3.3Å; L77-V79 PolarHBondContact O-N 3.42Å; V79-F81 VanDerWaalsContact C-N 3.35Å; V79-F81 PolarHBondContact O-N 3.48Å; V79-G82 CarbonylContact O-C 3.44Å; V79-G82 PolarHBondContact O-N 3.36Å; V79-G82 VanDerWaalsContact O-N 3.09Å; V79-C83 PolarHBondContact O-N 3.32Å; V79-C83 PolarHBondContact O-SG 3.43Å; V79-L115 HydrophobicContact CG2-CD2 3.98Å; V79-L118 HydrophobicContact CB-CB 4.27Å; V79-L118 HydrophobicContact CG1-CB 4.06Å; V79-L118 HydrophobicContact CG2-CB 3.8Å; V79-L118 HydrophobicContact CG2-CD1 4.17Å; V79-Y119 HydrophobicContact CB-CE1 4.42Å; V79-Y119 HydrophobicContact CB-CE2 4.44Å; V79-Y119 HydrophobicContact CG1-CD1 3.79Å; V79-Y119 HydrophobicContact CG1-CD2 4.32Å; V79-Y119 HydrophobicContact CG1-CE1 3.85Å; V79-Y119 HydrophobicContact CG1-CE2 4.4Å; V79-Y119 HydrophobicContact CG1-CG 4.01Å; V79-Y119 HydrophobicContact CG2-CD2 4.01Å; V79-Y119 HydrophobicContact CG2-CE2 3.77Å; V79-M122 HydrophobicContact CG1-CG 4.49Å
80N98.4Very high97.8Very high6 Ų622.4 Ų22.43%0.03211%0.114CC..Hα-helixtrans-55.6-48.7177-78.1-1.2000111.3L50 S53 K76 L77 G82 C83 E84L50-N80 HydrophobicContact CB-CB 4.39Å; L50-N80 HydrophobicContact CD2-CB 4.25Å; L50-N80 PolarHBondContact O-ND2 3.26Å; L50-N80 VanDerWaalsContact O-ND2 3.09Å; S53-N80 PolarHBondContact OG-ND2 2.68Å; K76-N80 WeakPolarHBondContact CE-OD1 3.27Å; K76-N80 PolarHBondContact NZ-OD1 2.96Å; K76-N80 WeakPolarHBondContact O-CB 3.41Å; K76-N80 VanDerWaalsContact O-CG 3.23Å; K76-N80 PolarHBondContact O-N 2.73Å; K76-N80 PolarHBondContact O-OD1 3.31Å; L77-N80 WeakPolarHBondContact O-CB 3.43Å; L77-N80 PolarHBondContact O-N 3.5Å; N80-G82 PolarHBondContact O-N 3.16Å; N80-C83 PolarHBondContact O-N 2.95Å; N80-E84 PolarHBondContact O-N 3.03Å; N80-E84 VanDerWaalsContact O-N 3.13Å
81F98.1Very high97.8Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-59.6-46.5174-89.2-86000112.1F20 I38 A41 Y47 L50 L77 F78 V79 C83 E84 I85F20-F81 AromaticContact CE1-CD1 3.62Å; F20-F81 HydrophobicContact CE1-CD1 3.62Å; F20-F81 HydrophobicContact CE1-CE1 4.2Å; F20-F81 AromaticContact CZ-CD1 3.49Å; F20-F81 HydrophobicContact CZ-CD1 3.49Å; F20-F81 VanDerWaalsContact CZ-CD1 3.49Å; F20-F81 AromaticContact CZ-CE1 3.84Å; F20-F81 HydrophobicContact CZ-CE1 3.84Å; F20-F81 HydrophobicContact CZ-CG 4.29Å; I38-F81 HydrophobicContact CD1-CB 3.61Å; I38-F81 HydrophobicContact CD1-CD1 4.06Å; I38-F81 HydrophobicContact CD1-CD2 4.13Å; I38-F81 HydrophobicContact CD1-CG 3.67Å; I38-F81 HydrophobicContact CG2-CD2 4.03Å; I38-F81 HydrophobicContact CG2-CE2 4.17Å; A41-F81 HydrophobicContact CB-CD1 4.37Å; A41-F81 HydrophobicContact CB-CE1 3.49Å; A41-F81 VanDerWaalsContact CB-CE1 3.49Å; A41-F81 HydrophobicContact CB-CZ 3.89Å; Y47-F81 HydrophobicContact CD2-CE1 4.06Å; Y47-F81 HydrophobicContact CD2-CZ 4.31Å; Y47-F81 HydrophobicContact CG-CE1 4.26Å; Y47-F81 HydrophobicContact CG-CZ 4.34Å; L50-F81 HydrophobicContact CB-CE2 4.34Å; L50-F81 HydrophobicContact CD1-CD1 4.1Å; L50-F81 HydrophobicContact CD1-CD2 4.1Å; L50-F81 HydrophobicContact CD1-CE1 3.98Å; L50-F81 HydrophobicContact CD1-CE2 4.01Å; L50-F81 HydrophobicContact CD1-CG 4.14Å; L50-F81 HydrophobicContact CD1-CZ 3.94Å; L77-F81 HydrophobicContact CD1-CD2 3.88Å; L77-F81 HydrophobicContact CD1-CE2 3.7Å; L77-F81 HydrophobicContact CG-CD2 4.22Å; L77-F81 HydrophobicContact CG-CE2 4.25Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 3.47Å; F78-F81 PolarHBondContact O-N 3.15Å; V79-F81 VanDerWaalsContact C-N 3.35Å; V79-F81 PolarHBondContact O-N 3.48Å; F81-C83 VanDerWaalsContact C-N 3.33Å; F81-C83 PolarHBondContact O-N 3.5Å; F81-E84 PolarHBondContact O-N 2.88Å; F81-I85 VanDerWaalsContact O-CG1 3.25Å; F81-I85 WeakPolarHBondContact O-CG1 3.43Å; F81-I85 PolarHBondContact O-N 3.3Å
82G98Very high97.8Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-63.3-36.5178.500000113.5F78 V79 N80 I85 L86 Y119F78-G82 PolarHBondContact O-N 3.11Å; V79-G82 CarbonylContact O-C 3.44Å; V79-G82 PolarHBondContact O-N 3.36Å; V79-G82 VanDerWaalsContact O-N 3.09Å; N80-G82 PolarHBondContact O-N 3.16Å; G82-I85 PolarHBondContact O-N 3.44Å; G82-L86 WeakPolarHBondContact O-CB 3.31Å; G82-L86 WeakPolarHBondContact O-CG 3.36Å; G82-L86 PolarHBondContact O-N 2.97Å; G82-Y119 WeakPolarHBondContact CA-OH 3.36Å
83C98.2Very high97.8Very high9 Ų922.1 Ų22.16%0.06111%0.111CC..Hα-helixtrans-62.5-45.2175.1-730000111.8V79 N80 F81 L86 K87V79-C83 PolarHBondContact O-N 3.32Å; V79-C83 PolarHBondContact O-SG 3.43Å; N80-C83 PolarHBondContact O-N 2.95Å; F81-C83 VanDerWaalsContact C-N 3.33Å; F81-C83 PolarHBondContact O-N 3.5Å; C83-L86 PolarHBondContact O-N 3.22Å; C83-K87 PolarHBondContact O-N 2.83Å
84E97.2Very high97.9Very high56 Ų5622.2 Ų22.226%0.26211%0.112SC..Hα-helixtrans-65.6-40.2176.3-67.2-48.7129.500112.2F20 L50 N80 F81 L86 K87F20-E84 HydrophobicContact CD1-CB 4.29Å; F20-E84 HydrophobicContact CD2-CB 4.01Å; F20-E84 HydrophobicContact CE1-CB 3.77Å; F20-E84 HydrophobicContact CE2-CB 3.46Å; F20-E84 VanDerWaalsContact CE2-CB 3.46Å; F20-E84 HydrophobicContact CE2-CG 3.77Å; F20-E84 HydrophobicContact CG-CB 4.43Å; F20-E84 HydrophobicContact CZ-CB 3.34Å; F20-E84 HydrophobicContact CZ-CG 3.89Å; L50-E84 HydrophobicContact CD1-CG 4.28Å; L50-E84 HydrophobicContact CD2-CG 3.87Å; N80-E84 PolarHBondContact O-N 3.03Å; N80-E84 VanDerWaalsContact O-N 3.13Å; F81-E84 PolarHBondContact O-N 2.88Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.19Å; E84-K87 WeakPolarHBondContact O-CB 3.27Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 3.34Å; E84-K87 WeakPolarHBondContact OE2-CD 3.31Å; E84-K87 IonicContact OE2-NZ 3.24Å; E84-K87 PolarHBondContact OE2-NZ 3.33Å
85I97.2Very high97.9Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-59.1-44.9174.3-70.5170.8000110.7F20 I23 A31 T33 F81 G82 K87 I88 I89 V93F20-I85 HydrophobicContact CD1-CG1 3.75Å; F20-I85 HydrophobicContact CE1-CD1 4.32Å; F20-I85 HydrophobicContact CE1-CG1 3.66Å; I23-I85 HydrophobicContact CD1-CD1 3.92Å; I23-I85 HydrophobicContact CD1-CG1 3.68Å; I23-I85 HydrophobicContact CD1-CG2 4.24Å; A31-I85 HydrophobicContact CB-CG2 3.52Å; T33-I85 HydrophobicContact CG2-CD1 3.46Å; T33-I85 VanDerWaalsContact CG2-CD1 3.46Å; F81-I85 VanDerWaalsContact O-CG1 3.25Å; F81-I85 WeakPolarHBondContact O-CG1 3.43Å; F81-I85 PolarHBondContact O-N 3.3Å; G82-I85 PolarHBondContact O-N 3.44Å; I85-K87 PolarHBondContact O-N 3.23Å; I85-I88 WeakPolarHBondContact O-CB 3.43Å; I85-I88 PolarHBondContact O-N 2.92Å; I85-I89 HydrophobicContact CG2-CD1 3.89Å; I85-I89 HydrophobicContact CG2-CG1 4.18Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 2.98Å; I85-I89 VanDerWaalsContact O-N 3.1Å; I85-V93 HydrophobicContact CB-CG2 4.32Å; I85-V93 HydrophobicContact CD1-CG2 4.3Å; I85-V93 HydrophobicContact CG2-CB 4.3Å; I85-V93 HydrophobicContact CG2-CG2 3.92Å
86L97.8Very high97.8Very high16 Ų1621.8 Ų21.88%0.08411%0.11CC..Hα-helixtrans-64.5-20.8-179.2-75.9172.5000114.3G82 C83 E84 I88 I89 G91 V93 Y119 V124 R128 V129G82-L86 WeakPolarHBondContact O-CB 3.31Å; G82-L86 WeakPolarHBondContact O-CG 3.36Å; G82-L86 PolarHBondContact O-N 2.97Å; C83-L86 PolarHBondContact O-N 3.22Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.19Å; L86-I88 PolarHBondContact O-N 3.38Å; L86-I89 HydrophobicContact CD2-CD1 4.21Å; L86-I89 HydrophobicContact CD2-CG1 4.28Å; L86-G91 WeakPolarHBondContact CD2-O 3.41Å; L86-V93 HydrophobicContact CD1-CG1 3.72Å; L86-V93 HydrophobicContact CD2-CB 4.08Å; L86-V93 HydrophobicContact CD2-CG1 3.95Å; L86-V93 HydrophobicContact CG-CB 4.09Å; L86-V93 HydrophobicContact CG-CG1 3.68Å; L86-Y119 HydrophobicContact CD1-CE1 4.36Å; L86-V124 HydrophobicContact CD1-CB 4.49Å; L86-V124 HydrophobicContact CD1-CG1 3.48Å; L86-V124 VanDerWaalsContact CD1-CG1 3.48Å; L86-V124 HydrophobicContact CD1-CG2 4.17Å; L86-R128 HydrophobicContact CD1-CB 4.29Å; L86-R128 HydrophobicContact CD2-CB 3.97Å; L86-R128 WeakPolarHBondContact CD2-O 3.43Å; L86-R128 PolarHBondContact O-NH2 3.43Å; L86-V129 HydrophobicContact CD1-CG2 4.34Å
87K96.7Very high97.8Very high150 Ų15021.9 Ų21.965%0.65211%0.111SC*.THydrogen-bonded Turntrans-70.9-21170.8-65.1171.7-173.6171.80112.5C83 E84 I85C83-K87 PolarHBondContact O-N 2.83Å; E84-K87 WeakPolarHBondContact O-CB 3.27Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 3.34Å; E84-K87 WeakPolarHBondContact OE2-CD 3.31Å; E84-K87 IonicContact OE2-NZ 3.24Å; E84-K87 PolarHBondContact OE2-NZ 3.33Å; I85-K87 PolarHBondContact O-N 3.23Å
88I96.2Very high97.8Very high57 Ų5722.8 Ų22.829%0.29212%0.115SC..THydrogen-bonded Turntrans-98.7-42-175.3-60.5167.9000111.2F20 I23 H24 I85 L86F20-I88 HydrophobicContact CB-CD1 3.61Å; F20-I88 HydrophobicContact CG-CD1 4.27Å; I23-I88 HydrophobicContact CG2-CG2 3.96Å; H24-I88 HydrophobicContact CB-CG2 3.99Å; I85-I88 WeakPolarHBondContact O-CB 3.43Å; I85-I88 PolarHBondContact O-N 2.92Å; L86-I88 PolarHBondContact O-N 3.38Å
89I96.9Very high97.8Very high6 Ų622.4 Ų22.43%0.03111%0.114CC..  trans-93.2147.4-176.463.7169.6000111.9I23 P28 A31 I85 L86 R92 R128I23-I89 HydrophobicContact CG2-CG2 3.75Å; P28-I89 HydrophobicContact CG-CG2 3.89Å; A31-I89 HydrophobicContact CB-CD1 3.95Å; A31-I89 HydrophobicContact CB-CG2 4.49Å; I85-I89 HydrophobicContact CG2-CD1 3.89Å; I85-I89 HydrophobicContact CG2-CG1 4.18Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 2.98Å; I85-I89 VanDerWaalsContact O-N 3.1Å; L86-I89 HydrophobicContact CD2-CD1 4.21Å; L86-I89 HydrophobicContact CD2-CG1 4.28Å; I89-R92 WeakPolarHBondContact CD1-O 3.25Å; I89-R128 PolarHBondContact O-NH2 3.07Å
90P97Very high97.8Very high83 Ų8327.2 Ų27.254%0.53913%0.132SC..SBendtrans-79.6-23.9175.331.7-35.2000113.2Q29 R128Q29-P90 WeakPolarHBondContact O-CD 3.27Å; P90-R128 VanDerWaalsContact O-CZ 3.24Å; P90-R128 PolarHBondContact O-NE 3.3Å; P90-R128 PolarHBondContact O-NH2 3.14Å
91G97.9Very high97.8Very high7 Ų728.3 Ų28.37%0.07214%0.138CC..SBendtrans-103.5-137.7-174.200000113.5Q29 D30 L86 R128Q29-G91 VanDerWaalsContact O-CA 3.22Å; Q29-G91 WeakPolarHBondContact O-CA 3.45Å; Q29-G91 PolarHBondContact O-N 3.14Å; D30-G91 WeakPolarHBondContact OD1-CA 3.37Å; L86-G91 WeakPolarHBondContact CD2-O 3.41Å; G91-R128 PolarHBondContact O-NE 2.81Å; G91-R128 PolarHBondContact O-NH2 3Å
92R98.5Very high97.8Very high42 Ų4228.3 Ų28.316%0.15814%0.138CC..  trans-103149.7-165.3-56.9167-62.3-179.52.8113D30 A31 I89 R128 L130D30-R92 WeakPolarHBondContact CA-O 3.26Å; D30-R92 VanDerWaalsContact CB-O 3.25Å; D30-R92 WeakPolarHBondContact CB-O 3.33Å; D30-R92 VanDerWaalsContact CG-N 3.35Å; D30-R92 PolarHBondContact OD1-N 3.14Å; D30-R92 IonicContact OD2-CZ 3.69Å; D30-R92 IonicContact OD2-NE 3.38Å; D30-R92 PolarHBondContact OD2-NE 2.94Å; D30-R92 VanDerWaalsContact OD2-NE 3.17Å; D30-R92 IonicContact OD2-NH2 3.56Å; D30-R92 PolarHBondContact OD2-NH2 3.45Å; D30-R92 VanDerWaalsContact OD2-NH2 3.09Å; A31-R92 PolarHBondContact N-O 3.32Å; I89-R92 WeakPolarHBondContact CD1-O 3.25Å; R92-R128 CarbonylContact C-O 3.58Å; R92-R128 WeakPolarHBondContact CA-O 3.42Å; R92-L130 HydrophobicContact CB-CD1 4.36Å; R92-L130 HydrophobicContact CB-CG 4.25Å
93V98.4Very high97.8Very high0 Ų034.8 Ų34.80%017%0.167CC..EExtended strand (participates in β ladder)trans-104.4134.9166.6700000110.4A31 T33 I85 L86 R128 V129 L130A31-V93 CarbonylContact O-C 3.58Å; A31-V93 WeakPolarHBondContact O-CA 3.37Å; T33-V93 HydrophobicContact CG2-CG2 4.37Å; I85-V93 HydrophobicContact CB-CG2 4.32Å; I85-V93 HydrophobicContact CD1-CG2 4.3Å; I85-V93 HydrophobicContact CG2-CB 4.3Å; I85-V93 HydrophobicContact CG2-CG2 3.92Å; L86-V93 HydrophobicContact CD1-CG1 3.72Å; L86-V93 HydrophobicContact CD2-CB 4.08Å; L86-V93 HydrophobicContact CD2-CG1 3.95Å; L86-V93 HydrophobicContact CG-CB 4.09Å; L86-V93 HydrophobicContact CG-CG1 3.68Å; V93-R128 PolarHBondContact N-O 2.92Å; V93-V129 HydrophobicContact CG1-CG2 4.48Å; V93-L130 PolarHBondContact O-N 3.39Å
94S98.6Very high97.8Very high2 Ų237.8 Ų37.81%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-91.7125.4169-61.70000111.2A31 T33 L130 N155A31-S94 PolarHBondContact O-N 3.4Å; T33-S94 PolarHBondContact N-O 3.49Å; T33-S94 VanDerWaalsContact N-O 3.1Å; T33-S94 PolarHBondContact OG1-O 3.48Å; S94-L130 CarbonylContact C-O 3.51Å; S94-L130 VanDerWaalsContact CA-O 3.31Å; S94-L130 WeakPolarHBondContact CA-O 3.45Å; S94-N155 PolarHBondContact OG-ND2 2.9Å
95T98.4Very high97.9Very high0 Ų040.3 Ų40.30%019%0.189CC..EExtended strand (participates in β ladder)trans-121.4126.2-179.4-600000110.2F78 L115 Y119 L130 K132F78-T95 HydrophobicContact CB-CG2 4.01Å; F78-T95 HydrophobicContact CD1-CG2 4.46Å; T95-L115 HydrophobicContact CG2-CD1 4.48Å; T95-Y119 HydrophobicContact CG2-CE2 4.34Å; T95-Y119 PolarHBondContact OG1-OH 2.77Å; T95-L130 PolarHBondContact N-O 3.02Å; T95-K132 PolarHBondContact O-N 2.92Å
96E98Very high98Very high8 Ų844.5 Ų44.54%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-90.4133.4-167.4-166.4148.8176.300113N34 K132 F305N34-E96 WeakPolarHBondContact CB-OE2 3.22Å; E96-K132 HydrophobicContact CB-CB 4.23Å; E96-K132 HydrophobicContact CB-CD 4.29Å; E96-K132 HydrophobicContact CB-CG 4.44Å; E96-K132 HydrophobicContact CG-CB 4.44Å; E96-K132 HydrophobicContact CG-CD 4.4Å; E96-K132 HydrophobicContact CG-CG 4.29Å; E96-K132 WeakPolarHBondContact OE2-CD 3.32Å; E96-K132 VanDerWaalsContact OE2-CE 3.28Å; E96-K132 WeakPolarHBondContact OE2-CE 3.22Å; E96-K132 IonicContact OE2-NZ 2.75Å; E96-K132 PolarHBondContact OE2-NZ 3.43Å; E96-F305 WeakPolarHBondContact OE1-CD2 3.48Å; E96-F305 WeakPolarHBondContact OE1-CE2 3.35Å
97V98.5Very high98Very high7 Ų744.3 Ų44.34%0.04221%0.213CC..PPolyproline II helixtrans-72.2148.5170.41730000109.7A99 L101 Q108 R111 A112 L115 I131 K132 L133V97-A99 PolarHBondContact O-N 3.48Å; V97-L101 HydrophobicContact CG1-CB 4.4Å; V97-L101 HydrophobicContact CG1-CD1 4.02Å; V97-Q108 HydrophobicContact CG1-CG 4.11Å; V97-R111 HydrophobicContact CG1-CB 4.09Å; V97-R111 HydrophobicContact CG1-CG 3.93Å; V97-A112 HydrophobicContact CG2-CB 4.4Å; V97-L115 HydrophobicContact CG2-CD1 4.05Å; V97-I131 HydrophobicContact CG2-CG2 3.6Å; V97-K132 PolarHBondContact N-O 3.48Å; V97-L133 HydrophobicContact CB-CD2 3.84Å; V97-L133 HydrophobicContact CG1-CD2 4.37Å; V97-L133 HydrophobicContact CG2-CD2 3.56Å
98D97.5Very high98.1Very high18 Ų1837.2 Ų37.210%0.09618%0.183CC..PPolyproline II helixtrans-51.3122.5179-168.2-37.8000112.3R100 L101D98-R100 PolarHBondContact O-N 3.2Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.47Å; D98-R100 WeakPolarHBondContact OD1-CG 3.25Å; D98-R100 IonicContact OD1-CZ 3.23Å; D98-R100 PolarHBondContact OD1-N 2.9Å; D98-R100 IonicContact OD1-NE 2.84Å; D98-R100 PolarHBondContact OD1-NE 2.7Å; D98-R100 IonicContact OD1-NH2 3.05Å; D98-R100 IonicContact OD2-CZ 2.76Å; D98-R100 IonicContact OD2-NE 3.11Å; D98-R100 PolarHBondContact OD2-NE 3.29Å; D98-R100 IonicContact OD2-NH2 3.28Å; D98-R100 PolarHBondContact OD2-NH2 3.47Å; D98-L101 HydrophobicContact CB-CD1 4.32Å; D98-L101 HydrophobicContact CB-CG 4.45Å; D98-L101 WeakPolarHBondContact O-CB 3.46Å; D98-L101 PolarHBondContact O-N 2.96Å
99A97.6Very high98.3Very high3 Ų335.2 Ų35.23%0.02517%0.173CC..G310 helixtrans-58.7-23-177.600000113.5V97 L101 S102 I302 F305 N306V97-A99 PolarHBondContact O-N 3.48Å; A99-L101 PolarHBondContact O-N 2.97Å; A99-S102 VanDerWaalsContact O-CB 3.31Å; A99-S102 WeakPolarHBondContact O-CB 3.21Å; A99-S102 PolarHBondContact O-N 3.41Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.39Å; A99-I302 HydrophobicContact CB-CG2 4.44Å; A99-F305 HydrophobicContact CB-CB 4.06Å; A99-N306 HydrophobicContact CB-CB 4.09Å
100R97.9Very high98.4Very high101 Ų10140.2 Ų40.238%0.38120%0.196SC..G310 helixtrans-61.8-25.5173.8-67.5176-76.1-155.2-11.5112.9D98 S102 N306 E313D98-R100 PolarHBondContact O-N 3.2Å; D98-R100 VanDerWaalsContact OD1-CB 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.47Å; D98-R100 WeakPolarHBondContact OD1-CG 3.25Å; D98-R100 IonicContact OD1-CZ 3.23Å; D98-R100 PolarHBondContact OD1-N 2.9Å; D98-R100 IonicContact OD1-NE 2.84Å; D98-R100 PolarHBondContact OD1-NE 2.7Å; D98-R100 IonicContact OD1-NH2 3.05Å; D98-R100 IonicContact OD2-CZ 2.76Å; D98-R100 IonicContact OD2-NE 3.11Å; D98-R100 PolarHBondContact OD2-NE 3.29Å; D98-R100 IonicContact OD2-NH2 3.28Å; D98-R100 PolarHBondContact OD2-NH2 3.47Å; R100-S102 VanDerWaalsContact C-N 3.32Å; R100-N306 WeakPolarHBondContact CG-OD1 3.31Å; R100-E313 IonicContact CZ-OE2 3.21Å; R100-E313 VanDerWaalsContact CZ-OE2 3.23Å; R100-E313 IonicContact NH1-OE1 2.81Å; R100-E313 IonicContact NH1-OE2 2.75Å; R100-E313 PolarHBondContact NH1-OE2 3.08Å; R100-E313 IonicContact NH2-OE2 2.69Å; R100-E313 PolarHBondContact NH2-OE2 3.48Å
101L98.5Very high98.4Very high29 Ų2937.5 Ų37.515%0.15218%0.175CC..G310 helixtrans-87.52.9178.6-58.2173.1000112.8V97 D98 A99 F103 D104 Q108 R111V97-L101 HydrophobicContact CG1-CB 4.4Å; V97-L101 HydrophobicContact CG1-CD1 4.02Å; D98-L101 HydrophobicContact CB-CD1 4.32Å; D98-L101 HydrophobicContact CB-CG 4.45Å; D98-L101 WeakPolarHBondContact O-CB 3.46Å; D98-L101 PolarHBondContact O-N 2.96Å; A99-L101 PolarHBondContact O-N 2.97Å; L101-F103 PolarHBondContact O-N 2.81Å; L101-D104 HydrophobicContact CD2-CB 4.41Å; L101-D104 PolarHBondContact O-N 3.35Å; L101-Q108 HydrophobicContact CB-CG 3.78Å; L101-Q108 WeakPolarHBondContact O-CG 3.26Å; L101-Q108 PolarHBondContact O-NE2 2.94Å; L101-R111 HydrophobicContact CD1-CB 3.76Å; L101-R111 HydrophobicContact CD1-CG 4.12Å
102S98.7Very high98.5Very high1 Ų137.1 Ų37.11%0.00717%0.172CC..THydrogen-bonded Turntrans-56.9-20.1-174.6-61.50000114.7A99 R100 S134 T136A99-S102 VanDerWaalsContact O-CB 3.31Å; A99-S102 WeakPolarHBondContact O-CB 3.21Å; A99-S102 PolarHBondContact O-N 3.41Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.39Å; R100-S102 VanDerWaalsContact C-N 3.32Å; S102-S134 PolarHBondContact OG-OG 2.76Å; S102-T136 WeakPolarHBondContact O-CB 3.14Å; S102-T136 PolarHBondContact O-OG1 2.95Å
103F98.6Very high98.5Very high135 Ų13539.6 Ų39.659%0.59218%0.181SC*.THydrogen-bonded Turntrans-114.814.7177.5-51.3-67.8000112.9L101 T136 I302L101-F103 PolarHBondContact O-N 2.81Å; F103-T136 HydrophobicContact CD1-CG2 4.05Å; F103-T136 HydrophobicContact CE1-CG2 3.66Å; F103-T136 HydrophobicContact CZ-CG2 4.42Å; F103-I302 HydrophobicContact CE1-CD1 4.21Å; F103-I302 HydrophobicContact CE2-CD1 4.22Å; F103-I302 HydrophobicContact CZ-CD1 3.64Å
104D98.8Very high98.5Very high72 Ų7244.2 Ų44.239%0.38520%0.198SC..  trans-120.8102.1177.7-177.5-7.3000108.7L101 D106 G107 Q108L101-D104 HydrophobicContact CD2-CB 4.41Å; L101-D104 PolarHBondContact O-N 3.35Å; D104-D106 PolarHBondContact OD1-N 3.05Å; D104-G107 PolarHBondContact OD1-N 2.97Å; D104-Q108 WeakPolarHBondContact O-CB 3.16Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.41Å; D104-Q108 PolarHBondContact O-N 2.86Å; D104-Q108 VanDerWaalsContact O-N 3.08Å; D104-Q108 PolarHBondContact O-NE2 3.14Å
105R98.7Very high98.5Very high109 Ų10944.2 Ų44.241%0.41120%0.198SC..Hα-helixtrans-61.3-50-179-178-161.469.6-160.9-7.1110.9Q108 V109 E138 Q141 A142 I145R105-Q108 PolarHBondContact O-N 2.86Å; R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.44Å; R105-V109 VanDerWaalsContact O-N 3.12Å; R105-E138 HydrophobicContact CB-CB 4.45Å; R105-Q141 HydrophobicContact CG-CB 3.98Å; R105-A142 HydrophobicContact CG-CB 4.17Å; R105-I145 HydrophobicContact CG-CD1 4.21Å
106D98.8Very high98.5Very high89 Ų8944.4 Ų44.448%0.47620%0.199SC..Hα-helixtrans-74.7-38.8-171.3-65.7-24.3000110.7D104 Q108 V109 E110D104-D106 PolarHBondContact OD1-N 3.05Å; D106-Q108 VanDerWaalsContact C-N 3.33Å; D106-Q108 PolarHBondContact O-N 2.91Å; D106-V109 PolarHBondContact O-N 3.12Å; D106-E110 PolarHBondContact O-N 3.07Å
107G98.7Very high98.6Very high11 Ų1147.8 Ų47.811%0.11322%0.217CC..Hα-helixtrans-60.4-39.4171.700000112.9D104 R111D104-G107 PolarHBondContact OD1-N 2.97Å; G107-R111 VanDerWaalsContact O-CB 3.29Å; G107-R111 WeakPolarHBondContact O-CB 3.45Å; G107-R111 PolarHBondContact O-N 3.27Å
108Q98.8Very high98.6Very high2 Ų247.6 Ų47.61%0.00922%0.216CC..Hα-helixtrans-63.6-44173.5-78.6175.4100.700112.2V97 L101 D104 R105 D106 R111 A112 L133 A142V97-Q108 HydrophobicContact CG1-CG 4.11Å; L101-Q108 HydrophobicContact CB-CG 3.78Å; L101-Q108 WeakPolarHBondContact O-CG 3.26Å; L101-Q108 PolarHBondContact O-NE2 2.94Å; D104-Q108 WeakPolarHBondContact O-CB 3.16Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.41Å; D104-Q108 PolarHBondContact O-N 2.86Å; D104-Q108 VanDerWaalsContact O-N 3.08Å; D104-Q108 PolarHBondContact O-NE2 3.14Å; R105-Q108 PolarHBondContact O-N 2.86Å; D106-Q108 VanDerWaalsContact C-N 3.33Å; D106-Q108 PolarHBondContact O-N 2.91Å; Q108-R111 PolarHBondContact O-N 2.9Å; Q108-A112 WeakPolarHBondContact O-CB 3.33Å; Q108-A112 PolarHBondContact O-N 3Å; Q108-L133 HydrophobicContact CB-CD2 4.21Å; Q108-L133 HydrophobicContact CG-CD2 4.31Å; Q108-A142 HydrophobicContact CB-CB 3.75Å
109V98.9Very high98.6Very high14 Ų1446.8 Ų46.89%0.08521%0.212CC..Hα-helixtrans-63-45.4178.1174.20000110.9R105 D106 R113 A142 I145 L146R105-V109 WeakPolarHBondContact O-CG2 3.31Å; R105-V109 PolarHBondContact O-N 3.44Å; R105-V109 VanDerWaalsContact O-N 3.12Å; D106-V109 PolarHBondContact O-N 3.12Å; V109-R113 WeakPolarHBondContact O-CG 3.37Å; V109-R113 PolarHBondContact O-N 2.96Å; V109-R113 VanDerWaalsContact O-N 3.13Å; V109-A142 HydrophobicContact CG2-CB 3.89Å; V109-I145 HydrophobicContact CG1-CG2 3.98Å; V109-I145 HydrophobicContact CG2-CB 4.06Å; V109-I145 HydrophobicContact CG2-CD1 4.28Å; V109-I145 HydrophobicContact CG2-CG2 3.95Å; V109-L146 HydrophobicContact CG1-CD2 4.13Å; V109-L146 HydrophobicContact CG2-CG 4.28Å
110E98.7Very high98.7Very high111 Ų11151.9 Ų51.952%0.51923%0.233SC..Hα-helixtrans-61.9-48.2177.3-168.6-162.2144.200111.1D106 A112 R113 R114D106-E110 PolarHBondContact O-N 3.07Å; E110-A112 PolarHBondContact O-N 2.94Å; E110-R113 PolarHBondContact O-N 3.49Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-NH2 3.96Å; E110-R114 PolarHBondContact OE1-NH2 2.89Å
111R98.7Very high98.7Very high26 Ų2652.1 Ų52.110%0.09824%0.239CC..Hα-helixtrans-63.2-42.7-179-176.160.96787.612.5112D75 V97 L101 G107 Q108 R113 R114 L115D75-R111 WeakPolarHBondContact OD1-CD 3.5Å; D75-R111 IonicContact OD1-CZ 3.02Å; D75-R111 IonicContact OD1-NE 3.7Å; D75-R111 IonicContact OD1-NH1 2.76Å; D75-R111 PolarHBondContact OD1-NH1 3.46Å; D75-R111 WeakPolarHBondContact OD2-CD 3.42Å; D75-R111 IonicContact OD2-CZ 2.81Å; D75-R111 IonicContact OD2-NE 3.93Å; D75-R111 PolarHBondContact OD2-NE 3.08Å; D75-R111 IonicContact OD2-NH1 3.22Å; V97-R111 HydrophobicContact CG1-CB 4.09Å; V97-R111 HydrophobicContact CG1-CG 3.93Å; L101-R111 HydrophobicContact CD1-CB 3.76Å; L101-R111 HydrophobicContact CD1-CG 4.12Å; G107-R111 VanDerWaalsContact O-CB 3.29Å; G107-R111 WeakPolarHBondContact O-CB 3.45Å; G107-R111 PolarHBondContact O-N 3.27Å; Q108-R111 PolarHBondContact O-N 2.9Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 2.98Å; R111-R114 WeakPolarHBondContact O-CB 3.5Å; R111-R114 PolarHBondContact O-N 3.1Å; R111-L115 HydrophobicContact CG-CD1 4.46Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 3.17Å
112A98.9Very high98.6Very high0 Ų055.3 Ų55.30%025%0.254CS..Hα-helixtrans-57.4-45.9176.400000112.1V97 Q108 E110 L115 I116 I131 L146V97-A112 HydrophobicContact CG2-CB 4.4Å; Q108-A112 WeakPolarHBondContact O-CB 3.33Å; Q108-A112 PolarHBondContact O-N 3Å; E110-A112 PolarHBondContact O-N 2.94Å; A112-L115 PolarHBondContact O-N 3.09Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.74Å; A112-I131 HydrophobicContact CB-CB 4.44Å; A112-I131 HydrophobicContact CB-CG1 4.24Å; A112-I131 HydrophobicContact CB-CG2 3.66Å; A112-L146 HydrophobicContact CB-CD1 3.53Å; A112-L146 HydrophobicContact CB-CD2 3.63Å; A112-L146 HydrophobicContact CB-CG 4.24Å
113R98.7Very high98.6Very high94 Ų9458.6 Ų58.636%0.35529%0.288SS..Hα-helixtrans-62-44176.7-72.3172.157.8-164.2-6111.7V109 E110 R111 L115 I116 D117 L146 W150 I152V109-R113 WeakPolarHBondContact O-CG 3.37Å; V109-R113 PolarHBondContact O-N 2.96Å; V109-R113 VanDerWaalsContact O-N 3.13Å; E110-R113 PolarHBondContact O-N 3.49Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-R113 PolarHBondContact O-N 2.98Å; R113-L115 VanDerWaalsContact C-N 3.34Å; R113-L115 PolarHBondContact O-N 3.22Å; R113-I116 PolarHBondContact O-N 3.37Å; R113-I116 VanDerWaalsContact O-N 3.14Å; R113-D117 PolarHBondContact O-N 3.5Å; R113-L146 HydrophobicContact CG-CD2 4.31Å; R113-W150 HydrophobicContact CG-CD2 4.32Å; R113-W150 VanDerWaalsContact CZ-CZ2 3.45Å; R113-W150 VanDerWaalsContact NH1-CH2 3.29Å; R113-I152 HydrophobicContact CG-CD1 3.84Å
114R98.4Very high98.6Very high97 Ų9753.3 Ų53.337%0.36627%0.267SS..Hα-helixtrans-58.7-43.4175.9-171.9-177.3-61.4-151.62.3112.1E110 R111 I116 D117 L118E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-NH2 3.96Å; E110-R114 PolarHBondContact OE1-NH2 2.89Å; R111-R114 WeakPolarHBondContact O-CB 3.5Å; R111-R114 PolarHBondContact O-N 3.1Å; R114-I116 VanDerWaalsContact C-N 3.34Å; R114-I116 PolarHBondContact O-N 2.71Å; R114-D117 PolarHBondContact O-N 3.22Å; R114-L118 WeakPolarHBondContact O-CG 3.18Å; R114-L118 PolarHBondContact O-N 2.79Å
115L98.8Very high98.6Very high2 Ų254.6 Ų54.61%0.0127%0.274CS..Hα-helixtrans-60.8-43.4175.3-69.4171.1000111.6D75 V79 T95 V97 R111 A112 R113 L118 Y119 I131D75-L115 HydrophobicContact CB-CD2 3.86Å; V79-L115 HydrophobicContact CG2-CD2 3.98Å; T95-L115 HydrophobicContact CG2-CD1 4.48Å; V97-L115 HydrophobicContact CG2-CD1 4.05Å; R111-L115 HydrophobicContact CG-CD1 4.46Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 3.17Å; A112-L115 PolarHBondContact O-N 3.09Å; R113-L115 VanDerWaalsContact C-N 3.34Å; R113-L115 PolarHBondContact O-N 3.22Å; L115-L118 PolarHBondContact O-N 2.77Å; L115-Y119 WeakPolarHBondContact O-CD2 3.32Å; L115-Y119 PolarHBondContact O-N 3.42Å; L115-I131 HydrophobicContact CB-CD1 3.98Å; L115-I131 HydrophobicContact CD1-CD1 4.23Å
116I98.8Very high98.5Very high3 Ų351.2 Ų51.22%0.01527%0.267CS..Hα-helixtrans-63.6-39.9175.9-68.6-60.5000111.9A112 R113 R114 Y119 K120 V129 I131 I152A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.74Å; R113-I116 PolarHBondContact O-N 3.37Å; R113-I116 VanDerWaalsContact O-N 3.14Å; R114-I116 VanDerWaalsContact C-N 3.34Å; R114-I116 PolarHBondContact O-N 2.71Å; I116-Y119 WeakPolarHBondContact O-CB 3.2Å; I116-Y119 PolarHBondContact O-N 2.86Å; I116-K120 HydrophobicContact CG2-CD 4.2Å; I116-K120 WeakPolarHBondContact O-CG 3.24Å; I116-K120 PolarHBondContact O-N 2.69Å; I116-V129 HydrophobicContact CD1-CB 4.01Å; I116-V129 HydrophobicContact CD1-CG1 3.88Å; I116-I131 HydrophobicContact CD1-CD1 3.94Å; I116-I131 HydrophobicContact CD1-CG1 4.06Å; I116-I131 HydrophobicContact CG1-CD1 4.06Å; I116-I131 HydrophobicContact CG1-CG1 4.07Å; I116-I152 HydrophobicContact CB-CD1 4.36Å; I116-I152 HydrophobicContact CD1-CG2 4.31Å; I116-I152 HydrophobicContact CG1-CD1 3.93Å; I116-I152 HydrophobicContact CG1-CG1 4.08Å; I116-I152 HydrophobicContact CG1-CG2 3.93Å
117D98.6Very high98.4Very high79 Ų7949.9 Ų49.942%0.42226%0.264SS..Hα-helixtrans-64.1-41.7176.7-68.1-23.8000111.2R113 R114 Y119 K120 E121R113-D117 PolarHBondContact O-N 3.5Å; R114-D117 PolarHBondContact O-N 3.22Å; D117-Y119 VanDerWaalsContact C-N 3.32Å; D117-Y119 PolarHBondContact O-N 2.87Å; D117-K120 PolarHBondContact O-N 3.05Å; D117-K120 VanDerWaalsContact O-N 3.16Å; D117-E121 WeakPolarHBondContact O-CG 3.29Å; D117-E121 PolarHBondContact O-N 3.13Å
118L98.7Very high98.4Very high4 Ų453 Ų532%0.02127%0.273CS..Hα-helixtrans-60.8-37.5172.9-71174000112.8Y57 D75 K76 V79 R114 L115 M122Y57-L118 HydrophobicContact CE1-CD2 3.62Å; Y57-L118 HydrophobicContact CE2-CD2 4.38Å; Y57-L118 VanDerWaalsContact CZ-CD2 3.48Å; Y57-L118 WeakPolarHBondContact OH-CD2 3.5Å; D75-L118 HydrophobicContact CB-CD1 3.83Å; K76-L118 HydrophobicContact CD-CD2 4.38Å; V79-L118 HydrophobicContact CB-CB 4.27Å; V79-L118 HydrophobicContact CG1-CB 4.06Å; V79-L118 HydrophobicContact CG2-CB 3.8Å; V79-L118 HydrophobicContact CG2-CD1 4.17Å; R114-L118 WeakPolarHBondContact O-CG 3.18Å; R114-L118 PolarHBondContact O-N 2.79Å; L115-L118 PolarHBondContact O-N 2.77Å; L118-M122 WeakPolarHBondContact O-CG 3.44Å; L118-M122 PolarHBondContact O-N 3.5Å
119Y98.8Very high98.4Very high0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-64.8-44.4172.5-85.6-66.9000112.1V79 G82 L86 T95 L115 I116 D117 E121 M122 G123 V124 V129V79-Y119 HydrophobicContact CB-CE1 4.42Å; V79-Y119 HydrophobicContact CB-CE2 4.44Å; V79-Y119 HydrophobicContact CG1-CD1 3.79Å; V79-Y119 HydrophobicContact CG1-CD2 4.32Å; V79-Y119 HydrophobicContact CG1-CE1 3.85Å; V79-Y119 HydrophobicContact CG1-CE2 4.4Å; V79-Y119 HydrophobicContact CG1-CG 4.01Å; V79-Y119 HydrophobicContact CG2-CD2 4.01Å; V79-Y119 HydrophobicContact CG2-CE2 3.77Å; G82-Y119 WeakPolarHBondContact CA-OH 3.36Å; L86-Y119 HydrophobicContact CD1-CE1 4.36Å; T95-Y119 HydrophobicContact CG2-CE2 4.34Å; T95-Y119 PolarHBondContact OG1-OH 2.77Å; L115-Y119 WeakPolarHBondContact O-CD2 3.32Å; L115-Y119 PolarHBondContact O-N 3.42Å; I116-Y119 WeakPolarHBondContact O-CB 3.2Å; I116-Y119 PolarHBondContact O-N 2.86Å; D117-Y119 VanDerWaalsContact C-N 3.32Å; D117-Y119 PolarHBondContact O-N 2.87Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 PolarHBondContact O-N 3.26Å; Y119-M122 CarbonylContact O-C 3.6Å; Y119-M122 WeakPolarHBondContact O-CA 3.44Å; Y119-M122 WeakPolarHBondContact O-CB 3.26Å; Y119-M122 PolarHBondContact O-N 3.36Å; Y119-G123 PolarHBondContact O-N 2.95Å; Y119-V124 HydrophobicContact CD1-CB 4.03Å; Y119-V124 HydrophobicContact CD1-CG1 3.92Å; Y119-V124 HydrophobicContact CD1-CG2 4.23Å; Y119-V124 HydrophobicContact CG-CG1 4.4Å; Y119-V124 WeakPolarHBondContact O-CB 3.23Å; Y119-V124 PolarHBondContact O-N 3.43Å; Y119-V129 HydrophobicContact CD1-CG2 3.93Å; Y119-V129 HydrophobicContact CD2-CB 4.38Å; Y119-V129 HydrophobicContact CD2-CG1 3.81Å; Y119-V129 HydrophobicContact CD2-CG2 3.78Å; Y119-V129 HydrophobicContact CE1-CG2 4.18Å; Y119-V129 HydrophobicContact CE2-CB 4.48Å; Y119-V129 HydrophobicContact CE2-CG1 3.59Å; Y119-V129 HydrophobicContact CE2-CG2 4.02Å; Y119-V129 HydrophobicContact CG-CG2 3.75Å
120K98.6Very high98.4Very high110 Ų11052.3 Ų52.348%0.47827%0.269SS..Hα-helixtrans-62.9-38.7178.4-72171.2-179.8170.40112.1I116 D117 M122 G123I116-K120 HydrophobicContact CG2-CD 4.2Å; I116-K120 WeakPolarHBondContact O-CG 3.24Å; I116-K120 PolarHBondContact O-N 2.69Å; D117-K120 PolarHBondContact O-N 3.05Å; D117-K120 VanDerWaalsContact O-N 3.16Å; K120-M122 PolarHBondContact O-N 2.97Å; K120-G123 PolarHBondContact O-N 2.92Å
121E98.2Very high98.4Very high107 Ų10747 Ų4750%0.524%0.244SC..Hα-helixtrans-57.5-31.6172.6-75.3-180-162.600112.3Y57 D117 Y119 G123Y57-E121 VanDerWaalsContact CE2-OE2 3.31Å; Y57-E121 WeakPolarHBondContact CE2-OE2 3.44Å; Y57-E121 PolarHBondContact OH-OE1 3.48Å; Y57-E121 PolarHBondContact OH-OE2 2.88Å; D117-E121 WeakPolarHBondContact O-CG 3.29Å; D117-E121 PolarHBondContact O-N 3.13Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 PolarHBondContact O-N 3.26Å; E121-G123 VanDerWaalsContact C-N 3.27Å; E121-G123 PolarHBondContact O-N 2.95Å
122M97.8Very high98.4Very high95 Ų9546 Ų4647%0.46824%0.24SC..THydrogen-bonded Turntrans-86.78.8175.9-61.1-57.8-64.100113.4K76 V79 L118 Y119 K120 V124K76-M122 PolarHBondContact NZ-SD 3.47Å; V79-M122 HydrophobicContact CG1-CG 4.49Å; L118-M122 WeakPolarHBondContact O-CG 3.44Å; L118-M122 PolarHBondContact O-N 3.5Å; Y119-M122 CarbonylContact O-C 3.6Å; Y119-M122 WeakPolarHBondContact O-CA 3.44Å; Y119-M122 WeakPolarHBondContact O-CB 3.26Å; Y119-M122 PolarHBondContact O-N 3.36Å; K120-M122 PolarHBondContact O-N 2.97Å; M122-V124 VanDerWaalsContact C-N 3.28Å; M122-V124 PolarHBondContact O-N 3.33Å
123G98.2Very high98.4Very high70 Ų7046.1 Ų46.172%0.72224%0.241SC*.THydrogen-bonded Turntrans73.316.6-17900000114.3Y119 K120 E121Y119-G123 PolarHBondContact O-N 2.95Å; K120-G123 PolarHBondContact O-N 2.92Å; E121-G123 VanDerWaalsContact C-N 3.27Å; E121-G123 PolarHBondContact O-N 2.95Å
124V98.5Very high98.4Very high25 Ų2541.9 Ų41.915%0.15223%0.225CC..  trans-88.5128.2177172.90000110.2L86 Y119 M122 R128 V129L86-V124 HydrophobicContact CD1-CB 4.49Å; L86-V124 HydrophobicContact CD1-CG1 3.48Å; L86-V124 VanDerWaalsContact CD1-CG1 3.48Å; L86-V124 HydrophobicContact CD1-CG2 4.17Å; Y119-V124 HydrophobicContact CD1-CB 4.03Å; Y119-V124 HydrophobicContact CD1-CG1 3.92Å; Y119-V124 HydrophobicContact CD1-CG2 4.23Å; Y119-V124 HydrophobicContact CG-CG1 4.4Å; Y119-V124 WeakPolarHBondContact O-CB 3.23Å; Y119-V124 PolarHBondContact O-N 3.43Å; M122-V124 VanDerWaalsContact C-N 3.28Å; M122-V124 PolarHBondContact O-N 3.33Å; V124-R128 HydrophobicContact CG1-CB 4.31Å; V124-V129 HydrophobicContact CG1-CG2 3.93Å
125D97.6Very high98.4Very high98 Ų9837.2 Ų37.252%0.52421%0.208SC..  trans-67.6131.8170.8-170.3-53000110.5S127 R128D125-S127 VanDerWaalsContact CG-OG 3.25Å; D125-S127 PolarHBondContact O-N 3.44Å; D125-S127 VanDerWaalsContact O-N 3.15Å; D125-S127 VanDerWaalsContact OD1-CB 3.26Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.28Å; D125-R128 HydrophobicContact CB-CG 4.41Å; D125-R128 WeakPolarHBondContact O-CB 3.38Å; D125-R128 PolarHBondContact O-N 3.11Å
126S96.8Very high98.4Very high39 Ų3937.2 Ų37.227%0.27321%0.208SC..G310 helixtrans-61.3-23.8-179510000113.9R128 V129S126-R128 PolarHBondContact O-N 3.17Å; S126-V129 PolarHBondContact O-N 2.85Å
127S97.6Very high98.4Very high60 Ų6038.7 Ų38.742%0.4221%0.213SC..G310 helixtrans-64.3-19173.963.40000113.5D125 V129D125-S127 VanDerWaalsContact CG-OG 3.25Å; D125-S127 PolarHBondContact O-N 3.44Å; D125-S127 VanDerWaalsContact O-N 3.15Å; D125-S127 VanDerWaalsContact OD1-CB 3.26Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.28Å; S127-V129 VanDerWaalsContact C-N 3.3Å
128R98.3Very high98.4Very high76 Ų7636.5 Ų36.529%0.28720%0.201SC..G310 helixtrans-850174.2-61.2-69.6-53.4-93.1-4.9112.7L86 I89 P90 G91 R92 V93 V124 D125 S126L86-R128 HydrophobicContact CD1-CB 4.29Å; L86-R128 HydrophobicContact CD2-CB 3.97Å; L86-R128 WeakPolarHBondContact CD2-O 3.43Å; L86-R128 PolarHBondContact O-NH2 3.43Å; I89-R128 PolarHBondContact O-NH2 3.07Å; P90-R128 VanDerWaalsContact O-CZ 3.24Å; P90-R128 PolarHBondContact O-NE 3.3Å; P90-R128 PolarHBondContact O-NH2 3.14Å; G91-R128 PolarHBondContact O-NE 2.81Å; G91-R128 PolarHBondContact O-NH2 3Å; R92-R128 CarbonylContact C-O 3.58Å; R92-R128 WeakPolarHBondContact CA-O 3.42Å; V93-R128 PolarHBondContact N-O 2.92Å; V124-R128 HydrophobicContact CG1-CB 4.31Å; D125-R128 HydrophobicContact CB-CG 4.41Å; D125-R128 WeakPolarHBondContact O-CB 3.38Å; D125-R128 PolarHBondContact O-N 3.11Å; S126-R128 PolarHBondContact O-N 3.17Å
129V98.7Very high98.4Very high1 Ų136.3 Ų36.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-123135.2-174.8-175.90000110.3L86 V93 I116 Y119 V124 S126 S127 I131L86-V129 HydrophobicContact CD1-CG2 4.34Å; V93-V129 HydrophobicContact CG1-CG2 4.48Å; I116-V129 HydrophobicContact CD1-CB 4.01Å; I116-V129 HydrophobicContact CD1-CG1 3.88Å; Y119-V129 HydrophobicContact CD1-CG2 3.93Å; Y119-V129 HydrophobicContact CD2-CB 4.38Å; Y119-V129 HydrophobicContact CD2-CG1 3.81Å; Y119-V129 HydrophobicContact CD2-CG2 3.78Å; Y119-V129 HydrophobicContact CE1-CG2 4.18Å; Y119-V129 HydrophobicContact CE2-CB 4.48Å; Y119-V129 HydrophobicContact CE2-CG1 3.59Å; Y119-V129 HydrophobicContact CE2-CG2 4.02Å; Y119-V129 HydrophobicContact CG-CG2 3.75Å; V124-V129 HydrophobicContact CG1-CG2 3.93Å; S126-V129 PolarHBondContact O-N 2.85Å; S127-V129 VanDerWaalsContact C-N 3.3Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å
130L98.9Very high98.5Very high1 Ų136.4 Ų36.41%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-108.5123.4165.9-65.5172.2000108.6R92 V93 S94 T95 K132 H153 N155 T174 L175R92-L130 HydrophobicContact CB-CD1 4.36Å; R92-L130 HydrophobicContact CB-CG 4.25Å; V93-L130 PolarHBondContact O-N 3.39Å; S94-L130 CarbonylContact C-O 3.51Å; S94-L130 VanDerWaalsContact CA-O 3.31Å; S94-L130 WeakPolarHBondContact CA-O 3.45Å; T95-L130 PolarHBondContact N-O 3.02Å; L130-K132 PolarHBondContact O-N 3.25Å; L130-H153 CarbonylContact C-O 3.59Å; L130-H153 WeakPolarHBondContact CA-O 3.42Å; L130-H153 HydrophobicContact CD2-CB 3.53Å; L130-N155 HydrophobicContact CB-CB 4.1Å; L130-N155 HydrophobicContact CD1-CB 4.39Å; L130-T174 HydrophobicContact CD2-CG2 4.08Å; L130-L175 HydrophobicContact CD1-CD1 4.23Å
131I98.9Very high98.5Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-79.2121.9170.2-64.3-56.1000108.8V97 A112 L115 I116 V129 L133 I152 H153 C154 N155V97-I131 HydrophobicContact CG2-CG2 3.6Å; A112-I131 HydrophobicContact CB-CB 4.44Å; A112-I131 HydrophobicContact CB-CG1 4.24Å; A112-I131 HydrophobicContact CB-CG2 3.66Å; L115-I131 HydrophobicContact CB-CD1 3.98Å; L115-I131 HydrophobicContact CD1-CD1 4.23Å; I116-I131 HydrophobicContact CD1-CD1 3.94Å; I116-I131 HydrophobicContact CD1-CG1 4.06Å; I116-I131 HydrophobicContact CG1-CD1 4.06Å; I116-I131 HydrophobicContact CG1-CG1 4.07Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å; I131-L133 HydrophobicContact CG2-CD2 4.02Å; I131-L133 HydrophobicContact CG2-CG 4.2Å; I131-I152 HydrophobicContact CB-CG2 4.1Å; I131-I152 HydrophobicContact CG1-CG2 3.48Å; I131-I152 VanDerWaalsContact CG1-CG2 3.48Å; I131-H153 PolarHBondContact N-O 3.11Å; I131-C154 CarbonylContact O-C 3.57Å; I131-C154 WeakPolarHBondContact O-CA 3.36Å; I131-N155 PolarHBondContact O-N 2.63Å
132K98.8Very high98.5Very high6 Ų629.1 Ų29.13%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-97.5124.2-175.8-176.7178178.2-1470110.7T33 T95 E96 V97 L130 N155 T157T33-K132 PolarHBondContact O-NZ 3.29Å; T95-K132 PolarHBondContact O-N 2.92Å; E96-K132 HydrophobicContact CB-CB 4.23Å; E96-K132 HydrophobicContact CB-CD 4.29Å; E96-K132 HydrophobicContact CB-CG 4.44Å; E96-K132 HydrophobicContact CG-CB 4.44Å; E96-K132 HydrophobicContact CG-CD 4.4Å; E96-K132 HydrophobicContact CG-CG 4.29Å; E96-K132 WeakPolarHBondContact OE2-CD 3.32Å; E96-K132 VanDerWaalsContact OE2-CE 3.28Å; E96-K132 WeakPolarHBondContact OE2-CE 3.22Å; E96-K132 IonicContact OE2-NZ 2.75Å; E96-K132 PolarHBondContact OE2-NZ 3.43Å; V97-K132 PolarHBondContact N-O 3.48Å; L130-K132 PolarHBondContact O-N 3.25Å; K132-N155 WeakPolarHBondContact CA-O 3.33Å; K132-N155 HydrophobicContact CB-CB 4.22Å; K132-N155 HydrophobicContact CG-CB 4.34Å; K132-N155 WeakPolarHBondContact CG-O 3.25Å; K132-T157 HydrophobicContact CD-CG2 4.17Å; K132-T157 WeakPolarHBondContact CE-OG1 3.14Å; K132-T157 HydrophobicContact CG-CG2 3.62Å
133L98.9Very high98.6Very high1 Ų124.6 Ų24.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-127.5144.6-173.6-59.2172.5000110.1V97 Q108 I131 A142 L146 N155 M156 T157V97-L133 HydrophobicContact CB-CD2 3.84Å; V97-L133 HydrophobicContact CG1-CD2 4.37Å; V97-L133 HydrophobicContact CG2-CD2 3.56Å; Q108-L133 HydrophobicContact CB-CD2 4.21Å; Q108-L133 HydrophobicContact CG-CD2 4.31Å; I131-L133 HydrophobicContact CG2-CD2 4.02Å; I131-L133 HydrophobicContact CG2-CG 4.2Å; L133-A142 HydrophobicContact CD1-CB 4.29Å; L133-L146 HydrophobicContact CD1-CD1 3.85Å; L133-N155 PolarHBondContact N-O 3.21Å; L133-M156 HydrophobicContact CB-CE 3.88Å; L133-M156 HydrophobicContact CB-SD 4.2Å; L133-M156 HydrophobicContact CD1-SD 4.36Å; L133-M156 CarbonylContact O-C 3.48Å; L133-M156 WeakPolarHBondContact O-CA 3.5Å; L133-T157 WeakPolarHBondContact O-CG2 3.42Å; L133-T157 PolarHBondContact O-N 3.43Å
134S98.6Very high98.6Very high5 Ų522.2 Ų22.24%0.03512%0.119CC..EExtended strand (participates in β ladder)trans-63.1135.1172.5-580000110.5S102 T136 G139 T157S102-S134 PolarHBondContact OG-OG 2.76Å; S134-T136 PolarHBondContact O-N 2.82Å; S134-G139 WeakPolarHBondContact O-CA 3.33Å; S134-T157 CarbonylContact C-O 3.55Å
135S98.8Very high98.6Very high0 Ų022.6 Ų22.60%012%0.12CC..  trans-74.444.8174.9-66.80000113.1M156 T157 Q164S135-M156 WeakPolarHBondContact OG-CB 3.34Å; S135-T157 WeakPolarHBondContact CB-O 3.45Å; S135-T157 PolarHBondContact N-O 3.49Å; S135-T157 PolarHBondContact OG-O 2.96Å; S135-T157 VanDerWaalsContact OG-O 3.05Å; S135-Q164 PolarHBondContact O-NE2 3.47Å
136T98.9Very high98.7Very high2 Ų217.9 Ų17.91%0.01210%0.095CC..SBendtrans-76.1168.9162.858.40000109.6S102 F103 S134 E138 G139 I140 L298 I302S102-T136 WeakPolarHBondContact O-CB 3.14Å; S102-T136 PolarHBondContact O-OG1 2.95Å; F103-T136 HydrophobicContact CD1-CG2 4.05Å; F103-T136 HydrophobicContact CE1-CG2 3.66Å; F103-T136 HydrophobicContact CZ-CG2 4.42Å; S134-T136 PolarHBondContact O-N 2.82Å; T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 2.84Å; T136-G139 PolarHBondContact O-N 3.09Å; T136-G139 PolarHBondContact OG1-N 2.91Å; T136-I140 WeakPolarHBondContact O-CB 3.29Å; T136-I140 WeakPolarHBondContact O-CD1 3.48Å; T136-I140 WeakPolarHBondContact O-CG1 3.27Å; T136-I140 PolarHBondContact O-N 2.88Å; T136-L298 HydrophobicContact CG2-CD1 4.23Å; T136-L298 HydrophobicContact CG2-CD2 4.21Å; T136-I302 HydrophobicContact CG2-CD1 3.81Å
137W98.9Very high98.8Very high33 Ų3317.4 Ų17.413%0.1259%0.089CC..Hα-helixtrans-57.8-47173.4178.6-111000110.7G139 I140 Q141 E281 F284W137-G139 PolarHBondContact O-N 3.1Å; W137-I140 PolarHBondContact O-N 2.9Å; W137-Q141 HydrophobicContact CD2-CG 4.4Å; W137-Q141 HydrophobicContact CZ2-CG 4.24Å; W137-Q141 VanDerWaalsContact CZ2-NE2 3.3Å; W137-Q141 WeakPolarHBondContact O-CG 3.38Å; W137-Q141 PolarHBondContact O-N 2.94Å; W137-E281 HydrophobicContact CD2-CB 4.11Å; W137-E281 HydrophobicContact CD2-CG 4.02Å; W137-E281 VanDerWaalsContact CE2-CB 3.45Å; W137-E281 HydrophobicContact CG-CG 4.11Å; W137-E281 HydrophobicContact CH2-CB 4.06Å; W137-E281 HydrophobicContact CZ2-CB 3.45Å; W137-E281 VanDerWaalsContact CZ2-CB 3.45Å; W137-E281 HydrophobicContact CZ2-CG 4.18Å; W137-E281 PolarHBondContact NE1-OE2 3.33Å; W137-E281 VanDerWaalsContact NE1-OE2 3.09Å; W137-F284 HydrophobicContact CB-CD1 3.85Å; W137-F284 HydrophobicContact CB-CE1 3.88Å; W137-F284 HydrophobicContact CE3-CB 3.65Å; W137-F284 AromaticContact CE3-CD1 3.97Å; W137-F284 HydrophobicContact CE3-CD1 3.97Å; W137-F284 HydrophobicContact CE3-CD2 4.14Å; W137-F284 AromaticContact CE3-CG 3.65Å; W137-F284 HydrophobicContact CE3-CG 3.65Å; W137-F284 HydrophobicContact CZ3-CB 3.9Å; W137-F284 HydrophobicContact CZ3-CG 4.27Å
138E98.9Very high98.8Very high34 Ų3419 Ų1916%0.15910%0.1CC..Hα-helixtrans-65.5-40.7-177.8-61.976.4-165.200112R105 T136 Q141 A142 R285R105-E138 HydrophobicContact CB-CB 4.45Å; T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 2.84Å; E138-Q141 PolarHBondContact O-N 2.98Å; E138-A142 WeakPolarHBondContact O-CB 3.22Å; E138-A142 PolarHBondContact O-N 3.31Å; E138-R285 IonicContact OE1-CZ 3.03Å; E138-R285 IonicContact OE1-NH1 2.9Å; E138-R285 IonicContact OE1-NH2 2.85Å; E138-R285 PolarHBondContact OE1-NH2 3.41Å
139G98.9Very high98.8Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-65.3-37.9174.100000112.7S134 T136 W137 A142 G143 M156S134-G139 WeakPolarHBondContact O-CA 3.33Å; T136-G139 PolarHBondContact O-N 3.09Å; T136-G139 PolarHBondContact OG1-N 2.91Å; W137-G139 PolarHBondContact O-N 3.1Å; G139-A142 PolarHBondContact O-N 3.01Å; G139-G143 PolarHBondContact O-N 3.13Å; G139-M156 WeakPolarHBondContact O-CE 3.39Å
140I98.9Very high98.8Very high2 Ų227.5 Ų27.51%0.0114%0.137CC..Hα-helixtrans-64.6-42.7173.9-68.3165.7000111T136 W137 G143 A144 M156 A167 A171 F284T136-I140 WeakPolarHBondContact O-CB 3.29Å; T136-I140 WeakPolarHBondContact O-CD1 3.48Å; T136-I140 WeakPolarHBondContact O-CG1 3.27Å; T136-I140 PolarHBondContact O-N 2.88Å; W137-I140 PolarHBondContact O-N 2.9Å; I140-G143 PolarHBondContact O-N 3.33Å; I140-A144 PolarHBondContact O-N 2.62Å; I140-M156 HydrophobicContact CG1-CE 4.03Å; I140-A167 HydrophobicContact CD1-CB 3.82Å; I140-A167 HydrophobicContact CG2-CB 4.39Å; I140-A171 HydrophobicContact CG2-CB 3.6Å; I140-F284 HydrophobicContact CD1-CD2 4.43Å; I140-F284 HydrophobicContact CD1-CE2 3.59Å; I140-F284 HydrophobicContact CD1-CZ 3.94Å
141Q98.9Very high98.8Very high63 Ų6329.7 Ų29.729%0.29416%0.16SC..Hα-helixtrans-65.2-38.9174.7-63.1-48.8-60.500112.1R105 W137 E138 A144 I145R105-Q141 HydrophobicContact CG-CB 3.98Å; W137-Q141 HydrophobicContact CD2-CG 4.4Å; W137-Q141 HydrophobicContact CZ2-CG 4.24Å; W137-Q141 VanDerWaalsContact CZ2-NE2 3.3Å; W137-Q141 WeakPolarHBondContact O-CG 3.38Å; W137-Q141 PolarHBondContact O-N 2.94Å; E138-Q141 PolarHBondContact O-N 2.98Å; Q141-A144 PolarHBondContact O-N 3.39Å; Q141-I145 WeakPolarHBondContact O-CG1 3.41Å; Q141-I145 PolarHBondContact O-N 3.23Å
142A98.9Very high98.7Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-62.8-44.1174.400000111.2R105 Q108 V109 L133 E138 G139 A144 I145 L146R105-A142 HydrophobicContact CG-CB 4.17Å; Q108-A142 HydrophobicContact CB-CB 3.75Å; V109-A142 HydrophobicContact CG2-CB 3.89Å; L133-A142 HydrophobicContact CD1-CB 4.29Å; E138-A142 WeakPolarHBondContact O-CB 3.22Å; E138-A142 PolarHBondContact O-N 3.31Å; G139-A142 PolarHBondContact O-N 3.01Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.84Å; A142-I145 PolarHBondContact O-N 3.42Å; A142-L146 WeakPolarHBondContact O-CB 3.21Å; A142-L146 VanDerWaalsContact O-CG 3.31Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.36Å
143G98.9Very high98.7Very high1 Ų133.3 Ų33.31%0.0118%0.177CC..Hα-helixtrans-58.1-43.4174.300000112.6G139 I140 I145 L146 E147G139-G143 PolarHBondContact O-N 3.13Å; I140-G143 PolarHBondContact O-N 3.33Å; G143-I145 PolarHBondContact O-N 3.33Å; G143-L146 PolarHBondContact O-N 2.93Å; G143-E147 WeakPolarHBondContact O-CB 3.46Å; G143-E147 VanDerWaalsContact O-CG 3.25Å; G143-E147 WeakPolarHBondContact O-CG 3.32Å; G143-E147 PolarHBondContact O-N 2.68Å
144A98.9Very high98.7Very high20 Ų2033.2 Ų33.217%0.16518%0.177CC..Hα-helixtrans-58.9-44.517600000112.4I140 Q141 A142 S148 A171I140-A144 PolarHBondContact O-N 2.62Å; Q141-A144 PolarHBondContact O-N 3.39Å; A142-A144 VanDerWaalsContact C-N 3.34Å; A142-A144 PolarHBondContact O-N 2.84Å; A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.44Å; A144-S148 PolarHBondContact O-N 3Å; A144-S148 PolarHBondContact O-OG 3.09Å; A144-A171 WeakPolarHBondContact CA-O 3.49Å; A144-A171 HydrophobicContact CB-CB 3.93Å
145I98.9Very high98.8Very high32 Ų3233 Ų3316%0.16418%0.175CC..Hα-helixtrans-64.6-46.6177.5-68.8166.6000110.6R105 V109 Q141 A142 G143 Q149R105-I145 HydrophobicContact CG-CD1 4.21Å; V109-I145 HydrophobicContact CG1-CG2 3.98Å; V109-I145 HydrophobicContact CG2-CB 4.06Å; V109-I145 HydrophobicContact CG2-CD1 4.28Å; V109-I145 HydrophobicContact CG2-CG2 3.95Å; Q141-I145 WeakPolarHBondContact O-CG1 3.41Å; Q141-I145 PolarHBondContact O-N 3.23Å; A142-I145 PolarHBondContact O-N 3.42Å; G143-I145 PolarHBondContact O-N 3.33Å; I145-Q149 VanDerWaalsContact O-CB 3.28Å; I145-Q149 WeakPolarHBondContact O-CB 3.44Å; I145-Q149 PolarHBondContact O-N 2.99Å
146L98.9Very high98.8Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-62.5-46.6-178.3-74164.6000112.1V109 A112 R113 L133 A142 G143 W150 G151 I152V109-L146 HydrophobicContact CG1-CD2 4.13Å; V109-L146 HydrophobicContact CG2-CG 4.28Å; A112-L146 HydrophobicContact CB-CD1 3.53Å; A112-L146 HydrophobicContact CB-CD2 3.63Å; A112-L146 HydrophobicContact CB-CG 4.24Å; R113-L146 HydrophobicContact CG-CD2 4.31Å; L133-L146 HydrophobicContact CD1-CD1 3.85Å; A142-L146 WeakPolarHBondContact O-CB 3.21Å; A142-L146 VanDerWaalsContact O-CG 3.31Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.36Å; G143-L146 PolarHBondContact O-N 2.93Å; L146-W150 CarbonylContact O-C 3.58Å; L146-W150 WeakPolarHBondContact O-CA 3.41Å; L146-W150 WeakPolarHBondContact O-CB 3.21Å; L146-W150 PolarHBondContact O-N 2.91Å; L146-G151 PolarHBondContact O-N 3.23Å; L146-I152 CarbonylContact C-O 3.43Å; L146-I152 HydrophobicContact CB-CB 4.15Å; L146-I152 HydrophobicContact CB-CG2 4.44Å; L146-I152 HydrophobicContact CD2-CB 4.2Å; L146-I152 HydrophobicContact CD2-CD1 3.83Å; L146-I152 HydrophobicContact CD2-CG2 4.31Å; L146-I152 PolarHBondContact O-N 3.08Å
147E98.7Very high98.8Very high29 Ų2933 Ų3314%0.13618%0.175CC..Hα-helixtrans-66.3-51178.7-68-82.3-16600111.3G143 G151 I152 H153 C154 T174G143-E147 WeakPolarHBondContact O-CB 3.46Å; G143-E147 VanDerWaalsContact O-CG 3.25Å; G143-E147 WeakPolarHBondContact O-CG 3.32Å; G143-E147 PolarHBondContact O-N 2.68Å; E147-G151 PolarHBondContact O-N 2.64Å; E147-I152 PolarHBondContact N-O 2.76Å; E147-H153 WeakPolarHBondContact OE1-CA 3.28Å; E147-H153 WeakPolarHBondContact OE2-CA 3.35Å; E147-H153 IonicContact OE2-CE1 3.17Å; E147-H153 IonicContact OE2-CG 2.95Å; E147-H153 IonicContact OE2-ND1 3.09Å; E147-H153 PolarHBondContact OE2-ND1 2.95Å; E147-C154 HydrophobicContact CG-CB 4.27Å; E147-C154 PolarHBondContact OE1-N 3.43Å; E147-T174 VanDerWaalsContact CD-OG1 3.24Å; E147-T174 WeakPolarHBondContact OE1-CB 3.46Å; E147-T174 PolarHBondContact OE1-N 3.42Å; E147-T174 PolarHBondContact OE1-OG1 3.34Å; E147-T174 PolarHBondContact OE2-OG1 3.07Å; E147-T174 VanDerWaalsContact OE2-OG1 3.06Å
148S98.5Very high98.7Very high93 Ų9331.4 Ų31.465%0.6517%0.169SC*.Hα-helixtrans-80.5-34.7-170.464.90000114.8A144A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.44Å; A144-S148 PolarHBondContact O-N 3Å; A144-S148 PolarHBondContact O-OG 3.09Å
149Q98.5Very high98.7Very high136 Ų13629.8 Ų29.864%0.63616%0.162SC*.Hα-helixtrans-102.6-30.6-174.3-55.6-17817.200112.9I145I145-Q149 VanDerWaalsContact O-CB 3.28Å; I145-Q149 WeakPolarHBondContact O-CB 3.44Å; I145-Q149 PolarHBondContact O-N 2.99Å
150W98.2Very high98.7Very high119 Ų11929.8 Ų29.845%0.45116%0.162SC..Hα-helixtrans-111-10.4-174.1-61.994.9000113.8R113 L146 I152R113-W150 HydrophobicContact CG-CD2 4.32Å; R113-W150 VanDerWaalsContact CZ-CZ2 3.45Å; R113-W150 VanDerWaalsContact NH1-CH2 3.29Å; L146-W150 CarbonylContact O-C 3.58Å; L146-W150 WeakPolarHBondContact O-CA 3.41Å; L146-W150 WeakPolarHBondContact O-CB 3.21Å; L146-W150 PolarHBondContact O-N 2.91Å; W150-I152 HydrophobicContact CB-CB 4.43Å; W150-I152 HydrophobicContact CB-CD1 3.79Å; W150-I152 HydrophobicContact CB-CG1 3.88Å; W150-I152 PolarHBondContact O-N 3.48Å
151G98.2Very high98.7Very high47 Ų4729.7 Ų29.749%0.48516%0.161SC..  trans61.527.2-173.900000112.8L146 E147L146-G151 PolarHBondContact O-N 3.23Å; E147-G151 PolarHBondContact O-N 2.64Å
152I98.8Very high98.7Very high12 Ų1228.2 Ų28.26%0.06216%0.155CC..  trans-95.2111.5178.9-65.9172.6000108.2R113 I116 I131 L146 E147 W150 C154R113-I152 HydrophobicContact CG-CD1 3.84Å; I116-I152 HydrophobicContact CB-CD1 4.36Å; I116-I152 HydrophobicContact CD1-CG2 4.31Å; I116-I152 HydrophobicContact CG1-CD1 3.93Å; I116-I152 HydrophobicContact CG1-CG1 4.08Å; I116-I152 HydrophobicContact CG1-CG2 3.93Å; I131-I152 HydrophobicContact CB-CG2 4.1Å; I131-I152 HydrophobicContact CG1-CG2 3.48Å; I131-I152 VanDerWaalsContact CG1-CG2 3.48Å; L146-I152 CarbonylContact C-O 3.43Å; L146-I152 HydrophobicContact CB-CB 4.15Å; L146-I152 HydrophobicContact CB-CG2 4.44Å; L146-I152 HydrophobicContact CD2-CB 4.2Å; L146-I152 HydrophobicContact CD2-CD1 3.83Å; L146-I152 HydrophobicContact CD2-CG2 4.31Å; L146-I152 PolarHBondContact O-N 3.08Å; E147-I152 PolarHBondContact N-O 2.76Å; W150-I152 HydrophobicContact CB-CB 4.43Å; W150-I152 HydrophobicContact CB-CD1 3.79Å; W150-I152 HydrophobicContact CB-CG1 3.88Å; W150-I152 PolarHBondContact O-N 3.48Å; I152-C154 PolarHBondContact O-SG 3.28Å
153H98.8Very high98.7Very high70 Ų7029 Ų2932%0.32416%0.159SC..  trans-70.8134.7-178.1-64.2-43.5000112.3L130 I131 E147 T174L130-H153 CarbonylContact C-O 3.59Å; L130-H153 WeakPolarHBondContact CA-O 3.42Å; L130-H153 HydrophobicContact CD2-CB 3.53Å; I131-H153 PolarHBondContact N-O 3.11Å; E147-H153 WeakPolarHBondContact OE1-CA 3.28Å; E147-H153 WeakPolarHBondContact OE2-CA 3.35Å; E147-H153 IonicContact OE2-CE1 3.17Å; E147-H153 IonicContact OE2-CG 2.95Å; E147-H153 IonicContact OE2-ND1 3.09Å; E147-H153 PolarHBondContact OE2-ND1 2.95Å; H153-T174 HydrophobicContact CB-CG2 4.3Å; H153-T174 PolarHBondContact ND1-OG1 3.48Å; H153-T174 VanDerWaalsContact ND1-OG1 3.07Å
154C98.9Very high98.7Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-114.8142.1-172.2-67.30000112.6I131 E147 I152 M156 L175I131-C154 CarbonylContact O-C 3.57Å; I131-C154 WeakPolarHBondContact O-CA 3.36Å; E147-C154 HydrophobicContact CG-CB 4.27Å; E147-C154 PolarHBondContact OE1-N 3.43Å; I152-C154 PolarHBondContact O-SG 3.28Å; C154-M156 HydrophobicContact CB-SD 4.1Å; C154-L175 PolarHBondContact O-N 3.45Å; C154-L175 VanDerWaalsContact O-N 3.09Å
155N98.9Very high98.7Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-110.6107.6167.4174.8-1.1000109.2S94 L130 I131 K132 L133 T157 L175 S177S94-N155 PolarHBondContact OG-ND2 2.9Å; L130-N155 HydrophobicContact CB-CB 4.1Å; L130-N155 HydrophobicContact CD1-CB 4.39Å; I131-N155 PolarHBondContact O-N 2.63Å; K132-N155 WeakPolarHBondContact CA-O 3.33Å; K132-N155 HydrophobicContact CB-CB 4.22Å; K132-N155 HydrophobicContact CG-CB 4.34Å; K132-N155 WeakPolarHBondContact CG-O 3.25Å; L133-N155 PolarHBondContact N-O 3.21Å; N155-T157 PolarHBondContact O-N 3.34Å; N155-L175 CarbonylContact C-O 3.59Å; N155-L175 WeakPolarHBondContact CA-O 3.28Å; N155-L175 HydrophobicContact CB-CD2 3.94Å; N155-L175 WeakPolarHBondContact OD1-CD2 3.42Å; N155-S177 PolarHBondContact ND2-OG 3.32Å; N155-S177 WeakPolarHBondContact OD1-CB 3.42Å; N155-S177 PolarHBondContact OD1-OG 2.56Å
156M98.9Very high98.7Very high1 Ų126.5 Ų26.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-82.8109.8-179.7-50.2-54-56.500110.5L133 S135 G139 I140 C154 C168 A173 L175 V176 S177L133-M156 HydrophobicContact CB-CE 3.88Å; L133-M156 HydrophobicContact CB-SD 4.2Å; L133-M156 HydrophobicContact CD1-SD 4.36Å; L133-M156 CarbonylContact O-C 3.48Å; L133-M156 WeakPolarHBondContact O-CA 3.5Å; S135-M156 WeakPolarHBondContact OG-CB 3.34Å; G139-M156 WeakPolarHBondContact O-CE 3.39Å; I140-M156 HydrophobicContact CG1-CE 4.03Å; C154-M156 HydrophobicContact CB-SD 4.1Å; M156-C168 HydrophobicContact CB-CB 4.3Å; M156-C168 VanDerWaalsContact CB-SG 3.53Å; M156-C168 HydrophobicContact CG-CB 4.01Å; M156-A173 HydrophobicContact CG-CB 3.58Å; M156-A173 HydrophobicContact SD-CB 4.3Å; M156-L175 PolarHBondContact N-O 2.98Å; M156-V176 HydrophobicContact CB-CG1 4.12Å; M156-V176 HydrophobicContact CG-CG1 4.41Å; M156-V176 CarbonylContact O-C 3.52Å; M156-S177 PolarHBondContact O-N 3.05Å
157T98.6Very high98.7Very high0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-106.2179.5-175.3-160.40000112.7K132 L133 S134 S135 N155 M159 F179K132-T157 HydrophobicContact CD-CG2 4.17Å; K132-T157 WeakPolarHBondContact CE-OG1 3.14Å; K132-T157 HydrophobicContact CG-CG2 3.62Å; L133-T157 WeakPolarHBondContact O-CG2 3.42Å; L133-T157 PolarHBondContact O-N 3.43Å; S134-T157 CarbonylContact C-O 3.55Å; S135-T157 WeakPolarHBondContact CB-O 3.45Å; S135-T157 PolarHBondContact N-O 3.49Å; S135-T157 PolarHBondContact OG-O 2.96Å; S135-T157 VanDerWaalsContact OG-O 3.05Å; N155-T157 PolarHBondContact O-N 3.34Å; T157-M159 PolarHBondContact O-N 3.19Å; T157-F179 WeakPolarHBondContact OG1-CE1 3.46Å; T157-F179 VanDerWaalsContact OG1-CZ 3.24Å; T157-F179 WeakPolarHBondContact OG1-CZ 3.39Å
158L98.6Very high98.7Very high0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans54.542-175.9-62.3179.4000111.4F160 Q164 F179 L298 I302 F305L158-F160 HydrophobicContact CB-CE2 3.88Å; L158-F160 HydrophobicContact CB-CZ 4.39Å; L158-F160 HydrophobicContact CD2-CE2 4.28Å; L158-F160 HydrophobicContact CD2-CZ 4.03Å; L158-F160 WeakPolarHBondContact O-CD2 3.18Å; L158-F160 WeakPolarHBondContact O-CE2 3.17Å; L158-Q164 PolarHBondContact O-NE2 3.17Å; L158-Q164 VanDerWaalsContact O-NE2 3.07Å; L158-F179 HydrophobicContact CD2-CD2 4.18Å; L158-F179 HydrophobicContact CD2-CE2 3.65Å; L158-F179 HydrophobicContact CD2-CZ 4.21Å; L158-L298 HydrophobicContact CB-CD1 3.86Å; L158-I302 HydrophobicContact CD1-CG1 3.72Å; L158-F305 HydrophobicContact CD1-CD2 3.98Å; L158-F305 HydrophobicContact CD1-CE2 4.14Å; L158-F305 HydrophobicContact CD2-CD2 4.21Å; L158-F305 HydrophobicContact CD2-CE2 3.7Å; L158-F305 HydrophobicContact CD2-CZ 4.27Å; L158-F305 HydrophobicContact CG-CD2 4.28Å; L158-F305 HydrophobicContact CG-CE2 3.92Å
159M98.8Very high98.7Very high0 Ų021.2 Ų21.20%011%0.11CC..EExtended strand (participates in β ladder)trans-97.8126.3176.8174.8179-6100109.6T157 Q164 C168 V176 P178 F179T157-M159 PolarHBondContact O-N 3.19Å; M159-Q164 HydrophobicContact CE-CB 4.26Å; M159-Q164 HydrophobicContact CG-CB 3.88Å; M159-C168 HydrophobicContact CE-CB 4.07Å; M159-C168 WeakPolarHBondContact CE-SG 3.09Å; M159-V176 HydrophobicContact CE-CB 3.52Å; M159-V176 HydrophobicContact CE-CG1 3.55Å; M159-V176 HydrophobicContact CE-CG2 4.3Å; M159-V176 HydrophobicContact SD-CB 3.9Å; M159-V176 HydrophobicContact SD-CG1 4.45Å; M159-V176 HydrophobicContact SD-CG2 4.15Å; M159-P178 HydrophobicContact CB-CB 4.39Å; M159-P178 HydrophobicContact CG-CB 4.1Å; M159-P178 CarbonylContact O-C 3.6Å; M159-P178 VanDerWaalsContact O-CA 3.32Å; M159-P178 WeakPolarHBondContact O-CA 3.32Å; M159-P178 HydrophobicContact SD-CB 4.17Å; M159-F179 PolarHBondContact O-N 2.96Å
160F98.8Very high98.7Very high0 Ų018 Ų180%010%0.095CC..  trans-130-15.1-174.4-56-77.4000112.4L158 F179 R182 I183 N206 M293 A294 K297 L298L158-F160 HydrophobicContact CB-CE2 3.88Å; L158-F160 HydrophobicContact CB-CZ 4.39Å; L158-F160 HydrophobicContact CD2-CE2 4.28Å; L158-F160 HydrophobicContact CD2-CZ 4.03Å; L158-F160 WeakPolarHBondContact O-CD2 3.18Å; L158-F160 WeakPolarHBondContact O-CE2 3.17Å; F160-F179 HydrophobicContact CD1-CB 4.12Å; F160-F179 HydrophobicContact CE1-CB 3.56Å; F160-F179 HydrophobicContact CE1-CD2 4.12Å; F160-F179 HydrophobicContact CE1-CG 4.18Å; F160-F179 HydrophobicContact CZ-CB 4.22Å; F160-F179 HydrophobicContact CZ-CD2 4.05Å; F160-F179 HydrophobicContact CZ-CG 4.38Å; F160-R182 HydrophobicContact CD1-CB 4.48Å; F160-R182 HydrophobicContact CE1-CB 3.78Å; F160-I183 HydrophobicContact CB-CG1 4.43Å; F160-I183 HydrophobicContact CD1-CG1 4.08Å; F160-N206 PolarHBondContact O-ND2 3.17Å; F160-M293 HydrophobicContact CB-SD 4.16Å; F160-M293 WeakPolarHBondContact O-CE 3.43Å; F160-A294 HydrophobicContact CB-CB 3.92Å; F160-K297 HydrophobicContact CD1-CB 3.67Å; F160-K297 HydrophobicContact CD2-CB 4.17Å; F160-K297 HydrophobicContact CE1-CB 3.72Å; F160-K297 VanDerWaalsContact CE2-C 3.47Å; F160-K297 HydrophobicContact CE2-CB 4.22Å; F160-K297 WeakPolarHBondContact CE2-O 3.1Å; F160-K297 HydrophobicContact CG-CB 3.91Å; F160-K297 HydrophobicContact CZ-CB 4.01Å; F160-K297 WeakPolarHBondContact CZ-O 3.42Å; F160-L298 HydrophobicContact CD2-CB 4.04Å; F160-L298 VanDerWaalsContact CE2-CA 3.5Å; F160-L298 HydrophobicContact CE2-CB 4.17Å
161S98.6Very high98.7Very high1 Ų113.5 Ų13.51%0.0078%0.083CC..SBendtrans-125.6158.1-179.873.90000113.5I163 Q164 G165 M288 D291S161-I163 PolarHBondContact O-N 2.59Å; S161-I163 PolarHBondContact OG-N 3.33Å; S161-Q164 VanDerWaalsContact N-OE1 3.12Å; S161-Q164 PolarHBondContact O-N 3.24Å; S161-Q164 WeakPolarHBondContact OG-CG 3.49Å; S161-Q164 PolarHBondContact OG-N 2.73Å; S161-Q164 VanDerWaalsContact OG-N 3.15Å; S161-G165 PolarHBondContact O-N 2.86Å; S161-M288 PolarHBondContact OG-SD 2.95Å; S161-D291 WeakPolarHBondContact CB-OD2 3.39Å
162L98.5Very high98.7Very high32 Ų3213.3 Ų13.317%0.1688%0.081CC..Hα-helixtrans-59.1-35.2169.8174.863.6000111.4G165 I166 V210 Y213 L274 M277L162-G165 CarbonylContact O-C 3.6Å; L162-G165 WeakPolarHBondContact O-CA 3.45Å; L162-G165 PolarHBondContact O-N 2.94Å; L162-G165 VanDerWaalsContact O-N 3.09Å; L162-I166 HydrophobicContact CD1-CD1 3.86Å; L162-I166 HydrophobicContact CD1-CG1 4.02Å; L162-I166 HydrophobicContact CD2-CD1 4.15Å; L162-I166 HydrophobicContact CG-CD1 3.67Å; L162-I166 HydrophobicContact CG-CG1 4.22Å; L162-I166 WeakPolarHBondContact O-CG1 3.42Å; L162-I166 PolarHBondContact O-N 3.07Å; L162-V210 HydrophobicContact CD1-CG2 4Å; L162-Y213 HydrophobicContact CD1-CG 4.47Å; L162-L274 HydrophobicContact CD2-CD1 3.72Å; L162-L274 HydrophobicContact CD2-CD2 4.28Å; L162-M277 HydrophobicContact CD2-CE 4.48Å
163I98.7Very high98.8Very high16 Ų1612.9 Ų12.98%0.0828%0.079CC..Hα-helixtrans-65.5-43.3-177.2-57.7-65.5000111.2S161 G165 I166 A167 M277 I279 F284 E287S161-I163 PolarHBondContact O-N 2.59Å; S161-I163 PolarHBondContact OG-N 3.33Å; I163-G165 VanDerWaalsContact C-N 3.3Å; I163-G165 PolarHBondContact O-N 3.4Å; I163-I166 PolarHBondContact O-N 2.92Å; I163-A167 WeakPolarHBondContact O-CB 3.48Å; I163-A167 PolarHBondContact O-N 2.97Å; I163-M277 HydrophobicContact CD1-CE 3.7Å; I163-M277 HydrophobicContact CD1-SD 4.4Å; I163-I279 HydrophobicContact CD1-CD1 4.37Å; I163-I279 HydrophobicContact CG2-CD1 4.44Å; I163-I279 HydrophobicContact CG2-CG2 4.33Å; I163-F284 HydrophobicContact CG2-CD2 4.06Å; I163-E287 HydrophobicContact CB-CB 4.38Å; I163-E287 HydrophobicContact CD1-CB 4.01Å; I163-E287 HydrophobicContact CD1-CG 4.09Å; I163-E287 HydrophobicContact CG1-CB 3.77Å; I163-E287 HydrophobicContact CG1-CG 4.41Å; I163-E287 HydrophobicContact CG2-CB 3.98Å
164Q98.9Very high98.8Very high0 Ų010.8 Ų10.80%07%0.072CC..Hα-helixtrans-57.4-46169.6-72.1174.9-62.900111.1S135 L158 M159 S161 I166 A167 C168 F284 M288S135-Q164 PolarHBondContact O-NE2 3.47Å; L158-Q164 PolarHBondContact O-NE2 3.17Å; L158-Q164 VanDerWaalsContact O-NE2 3.07Å; M159-Q164 HydrophobicContact CE-CB 4.26Å; M159-Q164 HydrophobicContact CG-CB 3.88Å; S161-Q164 VanDerWaalsContact N-OE1 3.12Å; S161-Q164 PolarHBondContact O-N 3.24Å; S161-Q164 WeakPolarHBondContact OG-CG 3.49Å; S161-Q164 PolarHBondContact OG-N 2.73Å; S161-Q164 VanDerWaalsContact OG-N 3.15Å; Q164-I166 PolarHBondContact O-N 3.09Å; Q164-A167 PolarHBondContact O-N 3.19Å; Q164-C168 WeakPolarHBondContact O-CB 3.47Å; Q164-C168 PolarHBondContact O-N 3.29Å; Q164-C168 PolarHBondContact O-SG 3.45Å; Q164-F284 HydrophobicContact CG-CE2 4.02Å; Q164-F284 HydrophobicContact CG-CZ 4.04Å; Q164-M288 HydrophobicContact CG-CE 4.16Å; Q164-M288 HydrophobicContact CG-SD 3.56Å; Q164-M288 VanDerWaalsContact CG-SD 3.56Å
165G98.8Very high98.8Very high0 Ų010.8 Ų10.80%07%0.072CC..Hα-helixtrans-54.7-51.9175.300000112.6S161 L162 I163 A167 C168 A169 Y214S161-G165 PolarHBondContact O-N 2.86Å; L162-G165 CarbonylContact O-C 3.6Å; L162-G165 WeakPolarHBondContact O-CA 3.45Å; L162-G165 PolarHBondContact O-N 2.94Å; L162-G165 VanDerWaalsContact O-N 3.09Å; I163-G165 VanDerWaalsContact C-N 3.3Å; I163-G165 PolarHBondContact O-N 3.4Å; G165-A167 PolarHBondContact O-N 2.97Å; G165-C168 PolarHBondContact O-N 3.02Å; G165-A169 PolarHBondContact O-N 3.38Å; G165-Y214 WeakPolarHBondContact CA-OH 3.18Å; G165-Y214 WeakPolarHBondContact O-CE1 3.2Å; G165-Y214 PolarHBondContact O-OH 3.49Å
166I98.7Very high98.8Very high0 Ų010.8 Ų10.80%07%0.072CC..Hα-helixtrans-65.4-43.6-176.6-65.8171.2000111.1L162 I163 Q164 C168 A169 Q170 Y213 M277 I279L162-I166 HydrophobicContact CD1-CD1 3.86Å; L162-I166 HydrophobicContact CD1-CG1 4.02Å; L162-I166 HydrophobicContact CD2-CD1 4.15Å; L162-I166 HydrophobicContact CG-CD1 3.67Å; L162-I166 HydrophobicContact CG-CG1 4.22Å; L162-I166 WeakPolarHBondContact O-CG1 3.42Å; L162-I166 PolarHBondContact O-N 3.07Å; I163-I166 PolarHBondContact O-N 2.92Å; Q164-I166 PolarHBondContact O-N 3.09Å; I166-C168 PolarHBondContact O-N 3.31Å; I166-A169 PolarHBondContact O-N 3.25Å; I166-Q170 HydrophobicContact CG2-CG 4.42Å; I166-Q170 WeakPolarHBondContact O-CG 3.4Å; I166-Q170 PolarHBondContact O-N 3Å; I166-Y213 HydrophobicContact CB-CE1 4.31Å; I166-Y213 HydrophobicContact CD1-CD1 4.1Å; I166-Y213 HydrophobicContact CD1-CD2 3.85Å; I166-Y213 HydrophobicContact CD1-CE1 3.78Å; I166-Y213 HydrophobicContact CD1-CE2 3.48Å; I166-Y213 VanDerWaalsContact CD1-CE2 3.48Å; I166-Y213 HydrophobicContact CD1-CG 4.14Å; I166-Y213 VanDerWaalsContact CD1-CZ 3.46Å; I166-Y213 HydrophobicContact CG1-CD1 3.72Å; I166-Y213 HydrophobicContact CG1-CD2 4.35Å; I166-Y213 HydrophobicContact CG1-CE1 3.49Å; I166-Y213 VanDerWaalsContact CG1-CE1 3.49Å; I166-Y213 HydrophobicContact CG1-CE2 4.16Å; I166-Y213 HydrophobicContact CG1-CG 4.15Å; I166-Y213 HydrophobicContact CG2-CE1 4Å; I166-M277 HydrophobicContact CD1-CE 3.09Å; I166-I279 HydrophobicContact CB-CG1 4.21Å; I166-I279 HydrophobicContact CG2-CD1 4.48Å; I166-I279 HydrophobicContact CG2-CG1 3.65Å
167A98.9Very high98.7Very high4 Ų410.9 Ų10.93%0.0337%0.072CC..Hα-helixtrans-61.2-42.2176.600000112.1I140 I163 Q164 G165 A169 Q170 A171 I279 F284I140-A167 HydrophobicContact CD1-CB 3.82Å; I140-A167 HydrophobicContact CG2-CB 4.39Å; I163-A167 WeakPolarHBondContact O-CB 3.48Å; I163-A167 PolarHBondContact O-N 2.97Å; Q164-A167 PolarHBondContact O-N 3.19Å; G165-A167 PolarHBondContact O-N 2.97Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.79Å; A167-Q170 PolarHBondContact O-N 2.73Å; A167-A171 WeakPolarHBondContact O-CB 3.03Å; A167-A171 PolarHBondContact O-N 2.78Å; A167-I279 HydrophobicContact CB-CB 4.25Å; A167-I279 HydrophobicContact CB-CG2 3.91Å; A167-F284 HydrophobicContact CB-CD2 3.83Å; A167-F284 HydrophobicContact CB-CE2 4.05Å
168C98.9Very high98.8Very high1 Ų110.9 Ų10.91%0.0077%0.072CC..Hα-helixtrans-61.5-40.8175.3-66.90000112.3M156 M159 Q164 G165 I166 A171 G172 A173 V176M156-C168 HydrophobicContact CB-CB 4.3Å; M156-C168 VanDerWaalsContact CB-SG 3.53Å; M156-C168 HydrophobicContact CG-CB 4.01Å; M159-C168 HydrophobicContact CE-CB 4.07Å; M159-C168 WeakPolarHBondContact CE-SG 3.09Å; Q164-C168 WeakPolarHBondContact O-CB 3.47Å; Q164-C168 PolarHBondContact O-N 3.29Å; Q164-C168 PolarHBondContact O-SG 3.45Å; G165-C168 PolarHBondContact O-N 3.02Å; I166-C168 PolarHBondContact O-N 3.31Å; C168-A171 PolarHBondContact O-N 3.07Å; C168-G172 PolarHBondContact O-N 2.83Å; C168-A173 HydrophobicContact CB-CB 4.4Å; C168-A173 WeakPolarHBondContact O-CB 3.22Å; C168-A173 PolarHBondContact O-N 3.15Å; C168-A173 VanDerWaalsContact O-N 3.13Å; C168-V176 HydrophobicContact CB-CG1 3.52Å
169A98.8Very high98.8Very high7 Ų711.3 Ų11.36%0.0587%0.074CC..Hα-helixtrans-70.4-34.7178.500000112.7G165 I166 A167 A171 G172 Y214 Y219G165-A169 PolarHBondContact O-N 3.38Å; I166-A169 PolarHBondContact O-N 3.25Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.79Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-G172 PolarHBondContact O-N 3.05Å; A169-Y214 HydrophobicContact CB-CD1 4.09Å; A169-Y214 HydrophobicContact CB-CE1 3.46Å; A169-Y214 VanDerWaalsContact CB-CE1 3.46Å; A169-Y214 HydrophobicContact CB-CE2 4.41Å; A169-Y219 HydrophobicContact CB-CD1 3.54Å; A169-Y219 HydrophobicContact CB-CD2 4.37Å; A169-Y219 HydrophobicContact CB-CE1 3.95Å; A169-Y219 HydrophobicContact CB-CG 3.77Å
170Q98.7Very high98.8Very high69 Ų6911.3 Ų11.332%0.3227%0.074SC..Hα-helixtrans-68.9-32.9173.1-72175.40.400112.6I166 A167 G172 Y219 M277I166-Q170 HydrophobicContact CG2-CG 4.42Å; I166-Q170 WeakPolarHBondContact O-CG 3.4Å; I166-Q170 PolarHBondContact O-N 3Å; A167-Q170 PolarHBondContact O-N 2.73Å; Q170-G172 PolarHBondContact O-N 2.81Å; Q170-Y219 HydrophobicContact CG-CE1 4.27Å; Q170-M277 PolarHBondContact NE2-O 3.2Å
171A98.7Very high98.8Very high23 Ų2311.3 Ų11.319%0.197%0.074CC..THydrogen-bonded Turntrans-71.1-7.9171.800000113.7I140 A144 A167 C168 A169I140-A171 HydrophobicContact CG2-CB 3.6Å; A144-A171 WeakPolarHBondContact CA-O 3.49Å; A144-A171 HydrophobicContact CB-CB 3.93Å; A167-A171 WeakPolarHBondContact O-CB 3.03Å; A167-A171 PolarHBondContact O-N 2.78Å; C168-A171 PolarHBondContact O-N 3.07Å; A169-A171 VanDerWaalsContact C-N 3.34Å
172G98.6Very high98.8Very high44 Ų4412.9 Ų12.945%0.4548%0.08SC..THydrogen-bonded Turntrans75.722.5179.800000114.1C168 A169 Q170C168-G172 PolarHBondContact O-N 2.83Å; A169-G172 PolarHBondContact O-N 3.05Å; Q170-G172 PolarHBondContact O-N 2.81Å
173A98.8Very high98.8Very high2 Ų211.4 Ų11.42%0.0177%0.072CC..  trans-58.3139.8176.300000111.4M156 C168 T221M156-A173 HydrophobicContact CG-CB 3.58Å; M156-A173 HydrophobicContact SD-CB 4.3Å; C168-A173 HydrophobicContact CB-CB 4.4Å; C168-A173 WeakPolarHBondContact O-CB 3.22Å; C168-A173 PolarHBondContact O-N 3.15Å; C168-A173 VanDerWaalsContact O-N 3.13Å; A173-T221 WeakPolarHBondContact O-CA 3.45Å; A173-T221 VanDerWaalsContact O-CB 3.27Å; A173-T221 WeakPolarHBondContact O-CB 3.38Å; A173-T221 WeakPolarHBondContact O-CG2 3.44Å; A173-T221 PolarHBondContact O-OG1 2.96Å
174T98.9Very high98.8Very high27 Ų2711.7 Ų11.717%0.1667%0.074CC..SBendtrans-63.4-43.9177.3-67.40000111.1L130 E147 H153 Q222L130-T174 HydrophobicContact CD2-CG2 4.08Å; E147-T174 VanDerWaalsContact CD-OG1 3.24Å; E147-T174 WeakPolarHBondContact OE1-CB 3.46Å; E147-T174 PolarHBondContact OE1-N 3.42Å; E147-T174 PolarHBondContact OE1-OG1 3.34Å; E147-T174 PolarHBondContact OE2-OG1 3.07Å; E147-T174 VanDerWaalsContact OE2-OG1 3.06Å; H153-T174 HydrophobicContact CB-CG2 4.3Å; H153-T174 PolarHBondContact ND1-OG1 3.48Å; H153-T174 VanDerWaalsContact ND1-OG1 3.07Å; T174-Q222 PolarHBondContact O-N 2.84Å
175L98.9Very high98.7Very high0 Ų013.8 Ų13.80%09%0.085CC..EExtended strand (participates in β ladder)trans-146.6147.5-172.3-175.2149.7000111.7L130 C154 N155 M156 Q222 M224 L242L130-L175 HydrophobicContact CD1-CD1 4.23Å; C154-L175 PolarHBondContact O-N 3.45Å; C154-L175 VanDerWaalsContact O-N 3.09Å; N155-L175 CarbonylContact C-O 3.59Å; N155-L175 WeakPolarHBondContact CA-O 3.28Å; N155-L175 HydrophobicContact CB-CD2 3.94Å; N155-L175 WeakPolarHBondContact OD1-CD2 3.42Å; M156-L175 PolarHBondContact N-O 2.98Å; L175-Q222 CarbonylContact C-O 3.6Å; L175-Q222 WeakPolarHBondContact CA-O 3.1Å; L175-Q222 HydrophobicContact CB-CB 4.41Å; L175-Q222 HydrophobicContact CD1-CB 4.3Å; L175-Q222 HydrophobicContact CG-CB 4.27Å; L175-M224 HydrophobicContact CD1-CB 4.17Å; L175-M224 HydrophobicContact CD1-CE 4.44Å; L175-M224 HydrophobicContact CD1-SD 4.34Å; L175-M224 HydrophobicContact CD2-CB 3.86Å; L175-M224 HydrophobicContact CD2-CE 3.75Å; L175-M224 HydrophobicContact CG-CB 4.2Å; L175-L242 HydrophobicContact CD1-CD1 3.87Å; L175-L242 HydrophobicContact CD1-CD2 4.28Å
176V98.9Very high98.7Very high0 Ų015.2 Ų15.20%09%0.09CC..EExtended strand (participates in β ladder)trans-122.5145171.1-60.70000111.3M156 M159 C168 P178 V210 Y214 T221 Q222 V223 M224M156-V176 HydrophobicContact CB-CG1 4.12Å; M156-V176 HydrophobicContact CG-CG1 4.41Å; M156-V176 CarbonylContact O-C 3.52Å; M159-V176 HydrophobicContact CE-CB 3.52Å; M159-V176 HydrophobicContact CE-CG1 3.55Å; M159-V176 HydrophobicContact CE-CG2 4.3Å; M159-V176 HydrophobicContact SD-CB 3.9Å; M159-V176 HydrophobicContact SD-CG1 4.45Å; M159-V176 HydrophobicContact SD-CG2 4.15Å; C168-V176 HydrophobicContact CB-CG1 3.52Å; V176-P178 WeakPolarHBondContact O-CD 3.41Å; V176-V210 HydrophobicContact CG2-CG1 4.41Å; V176-Y214 WeakPolarHBondContact CG1-OH 3.02Å; V176-Y214 HydrophobicContact CG2-CE2 3.81Å; V176-T221 HydrophobicContact CB-CG2 4.49Å; V176-T221 HydrophobicContact CG1-CG2 3.63Å; V176-T221 HydrophobicContact CG2-CG2 4.35Å; V176-Q222 PolarHBondContact N-O 3.48Å; V176-V223 HydrophobicContact CG2-CB 4.42Å; V176-V223 HydrophobicContact CG2-CG1 4.4Å; V176-V223 HydrophobicContact CG2-CG2 4.14Å; V176-M224 PolarHBondContact O-N 3.33Å
177S98.8Very high98.7Very high2 Ų217.3 Ų17.31%0.01410%0.1CC..EExtended strand (participates in β ladder)trans-122.578.9-179-63.80000112.6N155 M156 F179 M224N155-S177 PolarHBondContact ND2-OG 3.32Å; N155-S177 WeakPolarHBondContact OD1-CB 3.42Å; N155-S177 PolarHBondContact OD1-OG 2.56Å; M156-S177 PolarHBondContact O-N 3.05Å; S177-F179 WeakPolarHBondContact O-CD1 3.46Å; S177-F179 WeakPolarHBondContact O-CE1 3.44Å; S177-M224 VanDerWaalsContact CA-O 3.28Å; S177-M224 WeakPolarHBondContact CA-O 3.38Å; S177-M224 VanDerWaalsContact OG-CE 3.23Å; S177-M224 WeakPolarHBondContact OG-CE 3.5Å
178P98.8Very high98.7Very high0 Ų019.5 Ų19.50%011%0.113CC..EExtended strand (participates in β ladder)trans-68.1136.8174.628-36.3000113.2M159 V176 V180 V207 V223 M224 A226M159-P178 HydrophobicContact CB-CB 4.39Å; M159-P178 HydrophobicContact CG-CB 4.1Å; M159-P178 CarbonylContact O-C 3.6Å; M159-P178 VanDerWaalsContact O-CA 3.32Å; M159-P178 WeakPolarHBondContact O-CA 3.32Å; M159-P178 HydrophobicContact SD-CB 4.17Å; V176-P178 WeakPolarHBondContact O-CD 3.41Å; P178-V180 PolarHBondContact O-N 3.35Å; P178-V207 HydrophobicContact CB-CG2 3.77Å; P178-V207 HydrophobicContact CG-CB 4.29Å; P178-V207 HydrophobicContact CG-CG1 4.11Å; P178-V207 HydrophobicContact CG-CG2 3.48Å; P178-V207 VanDerWaalsContact CG-CG2 3.48Å; P178-V223 HydrophobicContact CG-CG1 4.08Å; P178-M224 WeakPolarHBondContact CD-O 3.2Å; P178-A226 PolarHBondContact O-N 3.45Å
179F98.7Very high98.6Very high10 Ų1025.3 Ų25.34%0.04414%0.14CC..BIsolated β-bridgetrans-96.586.4-170.5-82.323.1000112.4T157 L158 M159 F160 S177 G181 R182 I183 A226 F305T157-F179 WeakPolarHBondContact OG1-CE1 3.46Å; T157-F179 VanDerWaalsContact OG1-CZ 3.24Å; T157-F179 WeakPolarHBondContact OG1-CZ 3.39Å; L158-F179 HydrophobicContact CD2-CD2 4.18Å; L158-F179 HydrophobicContact CD2-CE2 3.65Å; L158-F179 HydrophobicContact CD2-CZ 4.21Å; M159-F179 PolarHBondContact O-N 2.96Å; F160-F179 HydrophobicContact CD1-CB 4.12Å; F160-F179 HydrophobicContact CE1-CB 3.56Å; F160-F179 HydrophobicContact CE1-CD2 4.12Å; F160-F179 HydrophobicContact CE1-CG 4.18Å; F160-F179 HydrophobicContact CZ-CB 4.22Å; F160-F179 HydrophobicContact CZ-CD2 4.05Å; F160-F179 HydrophobicContact CZ-CG 4.38Å; S177-F179 WeakPolarHBondContact O-CD1 3.46Å; S177-F179 WeakPolarHBondContact O-CE1 3.44Å; F179-G181 PolarHBondContact O-N 2.97Å; F179-R182 HydrophobicContact CB-CB 4.27Å; F179-R182 HydrophobicContact CD2-CG 4.3Å; F179-R182 PolarHBondContact O-N 3.16Å; F179-I183 WeakPolarHBondContact O-CG1 3.49Å; F179-I183 PolarHBondContact O-N 3.05Å; F179-A226 HydrophobicContact CD1-CB 3.88Å; F179-A226 HydrophobicContact CE1-CB 4Å; F179-F305 HydrophobicContact CE2-CZ 4.11Å; F179-F305 HydrophobicContact CZ-CZ 4.17Å
180V98.9Very high98.6Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-53.7-57.3-174.3-179.20000112.3P178 R182 I183 L184 V204 V207 A226 F228 Q233 L237P178-V180 PolarHBondContact O-N 3.35Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.16Å; V180-I183 WeakPolarHBondContact O-CB 3.49Å; V180-I183 PolarHBondContact O-N 3.01Å; V180-L184 PolarHBondContact O-N 3.09Å; V180-L184 VanDerWaalsContact O-N 3.16Å; V180-V204 HydrophobicContact CG1-CG2 4.04Å; V180-V207 HydrophobicContact CG2-CG2 3.52Å; V180-A226 PolarHBondContact N-O 2.63Å; V180-F228 HydrophobicContact CB-CD1 4.16Å; V180-F228 HydrophobicContact CB-CE1 4.06Å; V180-F228 HydrophobicContact CG1-CD1 4.3Å; V180-F228 HydrophobicContact CG1-CE1 4.3Å; V180-F228 HydrophobicContact CG2-CD1 4.35Å; V180-F228 HydrophobicContact CG2-CE1 3.75Å; V180-F228 HydrophobicContact CG2-CZ 4.31Å; V180-Q233 HydrophobicContact CG1-CB 3.95Å; V180-Q233 HydrophobicContact CG1-CG 3.86Å; V180-L237 HydrophobicContact CG2-CD1 3.74Å
181G98.6Very high98.5Very high0 Ų028.2 Ų28.20%016%0.159CC..Hα-helixtrans-67.7-30-174.300000114.2F179 L184 D185 S227F179-G181 PolarHBondContact O-N 2.97Å; G181-L184 WeakPolarHBondContact O-CB 3.4Å; G181-L184 PolarHBondContact O-N 3.49Å; G181-D185 PolarHBondContact O-N 2.91Å; G181-D185 VanDerWaalsContact O-OD1 3.13Å; G181-S227 WeakPolarHBondContact CA-O 3.48Å; G181-S227 PolarHBondContact N-O 3.21Å
182R98.5Very high98.4Very high34 Ų3434.9 Ų34.913%0.12819%0.191CC..Hα-helixtrans-73.5-30.1177.1-70.5-161.6-163.3178.90.8112.3F160 F179 V180 D185 W186 K297 G301F160-R182 HydrophobicContact CD1-CB 4.48Å; F160-R182 HydrophobicContact CE1-CB 3.78Å; F179-R182 HydrophobicContact CB-CB 4.27Å; F179-R182 HydrophobicContact CD2-CG 4.3Å; F179-R182 PolarHBondContact O-N 3.16Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.16Å; R182-D185 PolarHBondContact O-N 2.85Å; R182-W186 PolarHBondContact O-N 3.36Å; R182-W186 VanDerWaalsContact O-N 3.13Å; R182-K297 VanDerWaalsContact O-CE 3.26Å; R182-K297 WeakPolarHBondContact O-CE 3.29Å; R182-G301 VanDerWaalsContact NH1-CA 3.27Å
183I98.7Very high98.3Very high1 Ų137.2 Ų37.21%0.00519%0.189CC..Hα-helixtrans-64.8-46.6170.4-63.2167.6000109.3F160 F179 V180 D185 W186 H187 P202 N206 M293F160-I183 HydrophobicContact CB-CG1 4.43Å; F160-I183 HydrophobicContact CD1-CG1 4.08Å; F179-I183 WeakPolarHBondContact O-CG1 3.49Å; F179-I183 PolarHBondContact O-N 3.05Å; V180-I183 WeakPolarHBondContact O-CB 3.49Å; V180-I183 PolarHBondContact O-N 3.01Å; I183-D185 PolarHBondContact O-N 3.48Å; I183-W186 PolarHBondContact O-N 3.4Å; I183-H187 PolarHBondContact O-N 3.49Å; I183-H187 PolarHBondContact O-ND1 2.99Å; I183-P202 HydrophobicContact CG2-CB 3.89Å; I183-P202 HydrophobicContact CG2-CG 4.14Å; I183-N206 HydrophobicContact CD1-CB 3.72Å; I183-M293 HydrophobicContact CB-SD 4.21Å; I183-M293 HydrophobicContact CG1-CE 4.17Å; I183-M293 HydrophobicContact CG1-SD 3.85Å; I183-M293 HydrophobicContact CG2-CE 3.96Å; I183-M293 HydrophobicContact CG2-SD 4.03Å
184L98.6Very high98.1Very high22 Ų2241.7 Ų41.712%0.11521%0.208CC..Hα-helixtrans-56.3-50.1173.7175.568.9000111.3V180 G181 W186 H187 V188 F196 Q233V180-L184 PolarHBondContact O-N 3.09Å; V180-L184 VanDerWaalsContact O-N 3.16Å; G181-L184 WeakPolarHBondContact O-CB 3.4Å; G181-L184 PolarHBondContact O-N 3.49Å; L184-W186 VanDerWaalsContact C-N 3.29Å; L184-W186 PolarHBondContact O-N 2.67Å; L184-H187 PolarHBondContact O-N 2.8Å; L184-H187 VanDerWaalsContact O-N 3.11Å; L184-V188 HydrophobicContact CD1-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.17Å; L184-V188 WeakPolarHBondContact O-CG2 3.22Å; L184-V188 PolarHBondContact O-N 3.31Å; L184-F196 HydrophobicContact CD1-CB 4.37Å; L184-F196 HydrophobicContact CD1-CD2 3.44Å; L184-F196 VanDerWaalsContact CD1-CD2 3.44Å; L184-F196 HydrophobicContact CD1-CE2 3.96Å; L184-F196 HydrophobicContact CD1-CG 4.07Å; L184-Q233 VanDerWaalsContact CD2-NE2 3.29Å
185D98.4Very high98Very high44 Ų4448.3 Ų48.324%0.23524%0.237CC..Hα-helixtrans-54.2-45.8-179.6-61.6-23.2000110.9G181 R182 I183 H187 V188 E189 R229G181-D185 PolarHBondContact O-N 2.91Å; G181-D185 VanDerWaalsContact O-OD1 3.13Å; R182-D185 PolarHBondContact O-N 2.85Å; I183-D185 PolarHBondContact O-N 3.48Å; D185-H187 PolarHBondContact O-N 2.84Å; D185-V188 PolarHBondContact O-N 3.23Å; D185-E189 VanDerWaalsContact O-CB 3.31Å; D185-E189 WeakPolarHBondContact O-CB 3.21Å; D185-E189 WeakPolarHBondContact O-CG 3.39Å; D185-E189 PolarHBondContact O-N 3.44Å; D185-R229 IonicContact OD1-NE 3.92Å; D185-R229 PolarHBondContact OD1-NE 2.88Å; D185-R229 VanDerWaalsContact OD1-NE 3.15Å; D185-R229 IonicContact OD2-CZ 2.82Å; D185-R229 VanDerWaalsContact OD2-CZ 3.28Å; D185-R229 IonicContact OD2-NE 3.2Å; D185-R229 PolarHBondContact OD2-NE 3.05Å; D185-R229 IonicContact OD2-NH2 3.85Å; D185-R229 PolarHBondContact OD2-NH2 3.13Å
186W98.5Very high97.9Very high29 Ų2950.5 Ų50.511%0.1125%0.246CC..Hα-helixtrans-59.5-46.2178.2-165.793.1000112.1R182 I183 L184 E189 N190 T191 Q292 M293 D296 K297R182-W186 PolarHBondContact O-N 3.36Å; R182-W186 VanDerWaalsContact O-N 3.13Å; I183-W186 PolarHBondContact O-N 3.4Å; L184-W186 VanDerWaalsContact C-N 3.29Å; L184-W186 PolarHBondContact O-N 2.67Å; W186-E189 PolarHBondContact O-N 3.47Å; W186-N190 HydrophobicContact CD2-CB 4.15Å; W186-N190 HydrophobicContact CE3-CB 4.18Å; W186-N190 HydrophobicContact CH2-CB 4.1Å; W186-N190 HydrophobicContact CZ2-CB 4.07Å; W186-N190 HydrophobicContact CZ3-CB 4.16Å; W186-N190 WeakPolarHBondContact O-CB 3.31Å; W186-N190 PolarHBondContact O-N 2.8Å; W186-N190 PolarHBondContact O-ND2 3.32Å; W186-T191 HydrophobicContact CZ3-CG2 4.31Å; W186-Q292 HydrophobicContact CZ2-CB 4.32Å; W186-Q292 HydrophobicContact CZ2-CG 4.01Å; W186-M293 HydrophobicContact CB-CG 3.63Å; W186-M293 HydrophobicContact CD2-CB 3.53Å; W186-M293 HydrophobicContact CD2-CG 3.41Å; W186-M293 VanDerWaalsContact CD2-CG 3.41Å; W186-M293 HydrophobicContact CE3-CB 3.58Å; W186-M293 HydrophobicContact CE3-CG 3.54Å; W186-M293 HydrophobicContact CG-CB 4.04Å; W186-M293 HydrophobicContact CG-CG 3.46Å; W186-M293 VanDerWaalsContact CG-CG 3.46Å; W186-M293 HydrophobicContact CH2-CB 4.12Å; W186-M293 HydrophobicContact CZ2-CB 4.07Å; W186-M293 HydrophobicContact CZ3-CB 3.89Å; W186-M293 HydrophobicContact CZ3-CG 4.32Å; W186-D296 PolarHBondContact NE1-OD2 3.01Å; W186-D296 VanDerWaalsContact NE1-OD2 3.08Å; W186-K297 HydrophobicContact CB-CD 4.26Å; W186-K297 HydrophobicContact CB-CG 4.01Å; W186-K297 HydrophobicContact CG-CG 4.26Å
187H98.4Very high97.8Very high45 Ų4552.3 Ų52.321%0.20827%0.265CS..Hα-helixtrans-67.8-40.8-176.8-7479.5000111.6I183 L184 D185 E189 N190 T191 F196 P202I183-H187 PolarHBondContact O-N 3.49Å; I183-H187 PolarHBondContact O-ND1 2.99Å; L184-H187 PolarHBondContact O-N 2.8Å; L184-H187 VanDerWaalsContact O-N 3.11Å; D185-H187 PolarHBondContact O-N 2.84Å; H187-E189 VanDerWaalsContact C-N 3.3Å; H187-E189 PolarHBondContact O-N 2.72Å; H187-N190 PolarHBondContact O-N 3.32Å; H187-T191 WeakPolarHBondContact O-CB 3.39Å; H187-T191 PolarHBondContact O-N 2.94Å; H187-T191 PolarHBondContact O-OG1 2.84Å; H187-F196 HydrophobicContact CB-CE2 4.36Å; H187-F196 HydrophobicContact CB-CZ 3.94Å; H187-P202 HydrophobicContact CB-CG 3.98Å
188V98.1Very high97.8Very high49 Ų4955.1 Ų55.130%0.29728%0.278SS..Hα-helixtrans-64.5-37.1174.6174.20000110.9L184 D185 K194 F196L184-V188 HydrophobicContact CD1-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.17Å; L184-V188 WeakPolarHBondContact O-CG2 3.22Å; L184-V188 PolarHBondContact O-N 3.31Å; D185-V188 PolarHBondContact O-N 3.23Å; V188-K194 HydrophobicContact CG1-CD 4.2Å; V188-K194 WeakPolarHBondContact O-CD 3.32Å; V188-K194 WeakPolarHBondContact O-CE 3.48Å; V188-K194 PolarHBondContact O-NZ 3.2Å; V188-F196 HydrophobicContact CG2-CD2 4.31Å; V188-F196 HydrophobicContact CG2-CE2 3.91Å
189E97.8Very high97.7Very high123 Ų12359.2 Ų59.258%0.57530%0.3SS*.Hα-helixtrans-71.8-40.4178.2-73.2164.5168.400112.2D185 W186 H187 K297D185-E189 VanDerWaalsContact O-CB 3.31Å; D185-E189 WeakPolarHBondContact O-CB 3.21Å; D185-E189 WeakPolarHBondContact O-CG 3.39Å; D185-E189 PolarHBondContact O-N 3.44Å; W186-E189 PolarHBondContact O-N 3.47Å; H187-E189 VanDerWaalsContact C-N 3.3Å; H187-E189 PolarHBondContact O-N 2.72Å; E189-K297 IonicContact OE2-NZ 3.67Å; E189-K297 PolarHBondContact OE2-NZ 3.32Å
190N97.9Very high97.7Very high92 Ų9263.7 Ų63.749%0.49232%0.321SS..Hα-helixtrans-112.3-2-164.1-63-80.7000115.6W186 H187W186-N190 HydrophobicContact CD2-CB 4.15Å; W186-N190 HydrophobicContact CE3-CB 4.18Å; W186-N190 HydrophobicContact CH2-CB 4.1Å; W186-N190 HydrophobicContact CZ2-CB 4.07Å; W186-N190 HydrophobicContact CZ3-CB 4.16Å; W186-N190 WeakPolarHBondContact O-CB 3.31Å; W186-N190 PolarHBondContact O-N 2.8Å; W186-N190 PolarHBondContact O-ND2 3.32Å; H187-N190 PolarHBondContact O-N 3.32Å
191T96.8Very high97.7Very high46 Ų4664 Ų6428%0.28232%0.322SS..SBendtrans-128164.3179.1780000111.9W186 H187 K193 K194W186-T191 HydrophobicContact CZ3-CG2 4.31Å; H187-T191 WeakPolarHBondContact O-CB 3.39Å; H187-T191 PolarHBondContact O-N 2.94Å; H187-T191 PolarHBondContact O-OG1 2.84Å; T191-K193 VanDerWaalsContact C-N 3.28Å; T191-K193 PolarHBondContact O-N 3.07Å; T191-K193 PolarHBondContact OG1-N 3.06Å; T191-K193 PolarHBondContact OG1-O 2.76Å; T191-K194 VanDerWaalsContact O-CE 3.24Å; T191-K194 WeakPolarHBondContact O-CE 3.35Å; T191-K194 PolarHBondContact O-NZ 3.33Å
192D96.9Very high97.7Very high162 Ų16264.7 Ų64.787%0.86633%0.327SS*.SBendtrans-70.4-23.3178.2-65.8-34.8000113.3K194D192-K194 PolarHBondContact O-N 2.66Å
193K96Very high97.7Very high93 Ų9363 Ų6340%0.40432%0.321SS..  trans-79.4109.2178.9-171.8169.7178178.60109.7T191 H195 F196 E200T191-K193 VanDerWaalsContact C-N 3.28Å; T191-K193 PolarHBondContact O-N 3.07Å; T191-K193 PolarHBondContact OG1-N 3.06Å; T191-K193 PolarHBondContact OG1-O 2.76Å; K193-H195 WeakPolarHBondContact CE-O 3.48Å; K193-H195 WeakPolarHBondContact CG-O 3.18Å; K193-F196 HydrophobicContact CB-CE1 4.31Å; K193-F196 HydrophobicContact CB-CZ 3.91Å; K193-F196 HydrophobicContact CD-CD1 3.92Å; K193-F196 HydrophobicContact CD-CE1 3.55Å; K193-F196 HydrophobicContact CD-CZ 4.02Å; K193-F196 HydrophobicContact CG-CD1 4.29Å; K193-F196 HydrophobicContact CG-CE1 3.8Å; K193-F196 HydrophobicContact CG-CE2 4.17Å; K193-F196 HydrophobicContact CG-CZ 3.72Å; K193-F196 WeakPolarHBondContact O-CE2 3.48Å; K193-F196 WeakPolarHBondContact O-CZ 3.4Å; K193-E200 IonicContact NZ-OE2 3.87Å; K193-E200 PolarHBondContact NZ-OE2 2.74Å
194K95.6Very high97.7Very high97 Ų9763.1 Ų63.142%0.42232%0.321SS..  trans-100.1-14.2-178.7-52.3-53.2-174.1-175.50114.5V188 T191 D192V188-K194 HydrophobicContact CG1-CD 4.2Å; V188-K194 WeakPolarHBondContact O-CD 3.32Å; V188-K194 WeakPolarHBondContact O-CE 3.48Å; V188-K194 PolarHBondContact O-NZ 3.2Å; T191-K194 VanDerWaalsContact O-CE 3.24Å; T191-K194 WeakPolarHBondContact O-CE 3.35Å; T191-K194 PolarHBondContact O-NZ 3.33Å; D192-K194 PolarHBondContact O-N 2.66Å
195H95.8Very high97.7Very high166 Ų16666.7 Ų66.777%0.76934%0.337SS*.  trans-125.1134.2-179.9-62.5-66.2000110.1K193K193-H195 WeakPolarHBondContact CE-O 3.48Å; K193-H195 WeakPolarHBondContact CG-O 3.18Å
196F97.5Very high97.7Very high46 Ų4665.6 Ų65.620%0.20233%0.331CS..  trans-129.7131.8-179.8-61.9-95.9000108.3L184 H187 V188 K193 E200 D201 P202L184-F196 HydrophobicContact CD1-CB 4.37Å; L184-F196 HydrophobicContact CD1-CD2 3.44Å; L184-F196 VanDerWaalsContact CD1-CD2 3.44Å; L184-F196 HydrophobicContact CD1-CE2 3.96Å; L184-F196 HydrophobicContact CD1-CG 4.07Å; H187-F196 HydrophobicContact CB-CE2 4.36Å; H187-F196 HydrophobicContact CB-CZ 3.94Å; V188-F196 HydrophobicContact CG2-CD2 4.31Å; V188-F196 HydrophobicContact CG2-CE2 3.91Å; K193-F196 HydrophobicContact CB-CE1 4.31Å; K193-F196 HydrophobicContact CB-CZ 3.91Å; K193-F196 HydrophobicContact CD-CD1 3.92Å; K193-F196 HydrophobicContact CD-CE1 3.55Å; K193-F196 HydrophobicContact CD-CZ 4.02Å; K193-F196 HydrophobicContact CG-CD1 4.29Å; K193-F196 HydrophobicContact CG-CE1 3.8Å; K193-F196 HydrophobicContact CG-CE2 4.17Å; K193-F196 HydrophobicContact CG-CZ 3.72Å; K193-F196 WeakPolarHBondContact O-CE2 3.48Å; K193-F196 WeakPolarHBondContact O-CZ 3.4Å; F196-E200 WeakPolarHBondContact CD1-O 3.48Å; F196-D201 HydrophobicContact CB-CB 4.37Å; F196-P202 HydrophobicContact CE1-CG 4.3Å
197G97.3Very high97.7Very high38 Ų3864.2 Ų64.239%0.39233%0.326SS..  trans-67.7163.3168.300000111L199 E200 D201G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.03Å; G197-L199 VanDerWaalsContact O-N 3.14Å; G197-E200 CarbonylContact O-C 3.54Å; G197-E200 PolarHBondContact O-N 3.15Å; G197-D201 PolarHBondContact O-N 2.8Å
198M97.6Very high97.7Very high60 Ų6063.8 Ų63.830%0.29633%0.327SS..THydrogen-bonded Turntrans-47-46.9-175.9-178.2176.369.300114.7D232 K235M198-D232 HydrophobicContact CB-CB 4.21Å; M198-D232 HydrophobicContact CG-CB 4.09Å; M198-D232 WeakPolarHBondContact CG-O 3.26Å; M198-K235 HydrophobicContact SD-CB 3.81Å
199L97.8Very high97.7Very high86 Ų8663.6 Ų63.645%0.4533%0.327SS..THydrogen-bonded Turntrans-94-7.5-179.6-56.9-179.1000113.6G197 Q205G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.03Å; G197-L199 VanDerWaalsContact O-N 3.14Å; L199-Q205 WeakPolarHBondContact O-CG 3.49Å; L199-Q205 PolarHBondContact O-NE2 3.03Å
200E98Very high97.7Very high104 Ų10457.7 Ų57.749%0.48630%0.3SS..THydrogen-bonded Turntrans-91.8-10.1173.9-62.7-176.5-173.300112.2K193 F196 G197K193-E200 IonicContact NZ-OE2 3.87Å; K193-E200 PolarHBondContact NZ-OE2 2.74Å; F196-E200 WeakPolarHBondContact CD1-O 3.48Å; G197-E200 CarbonylContact O-C 3.54Å; G197-E200 PolarHBondContact O-N 3.15Å
201D98.6Very high97.8Very high7 Ų753.9 Ų53.94%0.03728%0.279CS..  trans-58.3123.7176.3-179.8-60.1000109.7F196 G197 G203 V204 Q205 Q233F196-D201 HydrophobicContact CB-CB 4.37Å; G197-D201 PolarHBondContact O-N 2.8Å; D201-G203 PolarHBondContact O-N 3.44Å; D201-G203 VanDerWaalsContact OD1-CA 3.3Å; D201-G203 WeakPolarHBondContact OD1-CA 3.35Å; D201-G203 PolarHBondContact OD1-N 3.45Å; D201-V204 HydrophobicContact CB-CB 3.99Å; D201-V204 HydrophobicContact CB-CG2 3.79Å; D201-V204 PolarHBondContact O-N 2.98Å; D201-V204 PolarHBondContact OD1-N 3.49Å; D201-V204 VanDerWaalsContact OD1-N 3.07Å; D201-Q205 WeakPolarHBondContact O-CG 3.4Å; D201-Q205 PolarHBondContact O-N 3.2Å; D201-Q233 WeakPolarHBondContact OD2-CG 3.44Å; D201-Q233 PolarHBondContact OD2-NE2 3.5Å
202P98.4Very high97.8Very high14 Ų1453 Ų539%0.09127%0.273CS..Hα-helixtrans-64.5-28.7-17425.4-34.6000112.4I183 H187 F196 N206I183-P202 HydrophobicContact CG2-CB 3.89Å; I183-P202 HydrophobicContact CG2-CG 4.14Å; H187-P202 HydrophobicContact CB-CG 3.98Å; F196-P202 HydrophobicContact CE1-CG 4.3Å; P202-N206 WeakPolarHBondContact O-CB 3.29Å; P202-N206 PolarHBondContact O-N 2.87Å
203G98.7Very high97.9Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-70.3-42.7172.800000112D201 Q205 N206 V207D201-G203 PolarHBondContact O-N 3.44Å; D201-G203 VanDerWaalsContact OD1-CA 3.3Å; D201-G203 WeakPolarHBondContact OD1-CA 3.35Å; D201-G203 PolarHBondContact OD1-N 3.45Å; G203-Q205 VanDerWaalsContact C-N 3.32Å; G203-Q205 PolarHBondContact O-N 3.45Å; G203-N206 WeakPolarHBondContact O-CB 3.43Å; G203-N206 PolarHBondContact O-N 3.45Å; G203-V207 WeakPolarHBondContact O-CG2 3.26Å; G203-V207 PolarHBondContact O-N 3.03Å; G203-V207 VanDerWaalsContact O-N 3.07Å
204V98.8Very high98Very high2 Ų240.9 Ų40.91%0.01221%0.212CC..Hα-helixtrans-62.3-42.3175.1174.50000110.3V180 D201 V207 T208 Q233 L237V180-V204 HydrophobicContact CG1-CG2 4.04Å; D201-V204 HydrophobicContact CB-CB 3.99Å; D201-V204 HydrophobicContact CB-CG2 3.79Å; D201-V204 PolarHBondContact O-N 2.98Å; D201-V204 PolarHBondContact OD1-N 3.49Å; D201-V204 VanDerWaalsContact OD1-N 3.07Å; V204-V207 PolarHBondContact O-N 3.45Å; V204-T208 VanDerWaalsContact O-CB 3.3Å; V204-T208 WeakPolarHBondContact O-CB 3.49Å; V204-T208 PolarHBondContact O-N 3.45Å; V204-T208 PolarHBondContact O-OG1 3.09Å; V204-Q233 HydrophobicContact CG2-CB 4.12Å; V204-Q233 HydrophobicContact CG2-CG 4.09Å; V204-L237 HydrophobicContact CB-CD2 4.46Å; V204-L237 HydrophobicContact CG1-CD2 3.82Å; V204-L237 HydrophobicContact CG1-CG 4.16Å; V204-L237 HydrophobicContact CG2-CG 4.42Å
205Q98.4Very high98.1Very high98 Ų9838.5 Ų38.546%0.45820%0.202SC..Hα-helixtrans-63.8-39.4176.2-70-178.5-17.200112.8L199 D201 G203 T208 S209L199-Q205 WeakPolarHBondContact O-CG 3.49Å; L199-Q205 PolarHBondContact O-NE2 3.03Å; D201-Q205 WeakPolarHBondContact O-CG 3.4Å; D201-Q205 PolarHBondContact O-N 3.2Å; G203-Q205 VanDerWaalsContact C-N 3.32Å; G203-Q205 PolarHBondContact O-N 3.45Å; Q205-T208 PolarHBondContact O-N 2.9Å; Q205-S209 WeakPolarHBondContact O-CB 3.31Å; Q205-S209 PolarHBondContact O-N 3.28Å; Q205-S209 PolarHBondContact O-OG 3.16Å
206N98.6Very high98.1Very high20 Ų2033.9 Ų33.911%0.10718%0.179CC..Hα-helixtrans-61.2-52.6175.8-179.9-88.1000111.3F160 I183 P202 G203 T208 S209 V210F160-N206 PolarHBondContact O-ND2 3.17Å; I183-N206 HydrophobicContact CD1-CB 3.72Å; P202-N206 WeakPolarHBondContact O-CB 3.29Å; P202-N206 PolarHBondContact O-N 2.87Å; G203-N206 WeakPolarHBondContact O-CB 3.43Å; G203-N206 PolarHBondContact O-N 3.45Å; N206-T208 VanDerWaalsContact C-N 3.33Å; N206-T208 PolarHBondContact O-N 3.02Å; N206-S209 WeakPolarHBondContact O-CB 3.25Å; N206-S209 PolarHBondContact O-N 2.94Å; N206-S209 VanDerWaalsContact O-N 3.14Å; N206-V210 WeakPolarHBondContact O-CG2 3.26Å; N206-V210 PolarHBondContact O-N 3.42Å
207V98.7Very high98Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-62.6-41.1178.7-178.20000111.7P178 V180 G203 V204 S209 V210 Y211 V223 L237P178-V207 HydrophobicContact CB-CG2 3.77Å; P178-V207 HydrophobicContact CG-CB 4.29Å; P178-V207 HydrophobicContact CG-CG1 4.11Å; P178-V207 HydrophobicContact CG-CG2 3.48Å; P178-V207 VanDerWaalsContact CG-CG2 3.48Å; V180-V207 HydrophobicContact CG2-CG2 3.52Å; G203-V207 WeakPolarHBondContact O-CG2 3.26Å; G203-V207 PolarHBondContact O-N 3.03Å; G203-V207 VanDerWaalsContact O-N 3.07Å; V204-V207 PolarHBondContact O-N 3.45Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.45Å; V207-V210 PolarHBondContact O-N 3.34Å; V207-Y211 WeakPolarHBondContact O-CB 3.4Å; V207-Y211 PolarHBondContact O-N 3.13Å; V207-V223 HydrophobicContact CG1-CG1 3.73Å; V207-L237 HydrophobicContact CB-CD1 3.87Å; V207-L237 HydrophobicContact CB-CD2 3.84Å; V207-L237 HydrophobicContact CG1-CD1 3.86Å; V207-L237 HydrophobicContact CG1-CD2 3.93Å; V207-L237 HydrophobicContact CG2-CD1 4.06Å
208T98.3Very high98Very high37 Ų3735 Ų3523%0.22719%0.186CC..Hα-helixtrans-58.7-42.3175.6-58.20000111.3V204 Q205 N206 N212V204-T208 VanDerWaalsContact O-CB 3.3Å; V204-T208 WeakPolarHBondContact O-CB 3.49Å; V204-T208 PolarHBondContact O-N 3.45Å; V204-T208 PolarHBondContact O-OG1 3.09Å; Q205-T208 PolarHBondContact O-N 2.9Å; N206-T208 VanDerWaalsContact C-N 3.33Å; N206-T208 PolarHBondContact O-N 3.02Å; T208-N212 VanDerWaalsContact O-CB 3.25Å; T208-N212 WeakPolarHBondContact O-CB 3.34Å; T208-N212 PolarHBondContact O-N 3.43Å; T208-N212 PolarHBondContact O-ND2 3.43Å
209S98.1Very high98Very high44 Ų4434.3 Ų34.331%0.30818%0.18SC..Hα-helixtrans-64.1-45.9177.3-60.60000112.2Q205 N206 V207 N212 Y213Q205-S209 WeakPolarHBondContact O-CB 3.31Å; Q205-S209 PolarHBondContact O-N 3.28Å; Q205-S209 PolarHBondContact O-OG 3.16Å; N206-S209 WeakPolarHBondContact O-CB 3.25Å; N206-S209 PolarHBondContact O-N 2.94Å; N206-S209 VanDerWaalsContact O-N 3.14Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.45Å; S209-N212 PolarHBondContact O-N 3.46Å; S209-Y213 VanDerWaalsContact O-CB 3.31Å; S209-Y213 WeakPolarHBondContact O-CB 3.35Å; S209-Y213 PolarHBondContact O-N 3.24Å
210V98.5Very high98Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-61.7-49.5177.4174.90000110.9L162 V176 N206 V207 N212 Y213 Y214 V223L162-V210 HydrophobicContact CD1-CG2 4Å; V176-V210 HydrophobicContact CG2-CG1 4.41Å; N206-V210 WeakPolarHBondContact O-CG2 3.26Å; N206-V210 PolarHBondContact O-N 3.42Å; V207-V210 PolarHBondContact O-N 3.34Å; V210-N212 PolarHBondContact O-N 3.13Å; V210-Y213 PolarHBondContact O-N 2.96Å; V210-Y214 HydrophobicContact CG1-CD1 4.31Å; V210-Y214 HydrophobicContact CG1-CD2 4.37Å; V210-Y214 HydrophobicContact CG1-CE1 3.83Å; V210-Y214 HydrophobicContact CG1-CE2 3.88Å; V210-Y214 WeakPolarHBondContact O-CD1 3.23Å; V210-Y214 PolarHBondContact O-N 3.09Å; V210-V223 HydrophobicContact CG1-CG1 4.49Å; V210-V223 HydrophobicContact CG1-CG2 3.98Å
211Y98.6Very high98.1Very high11 Ų1134.8 Ų34.84%0.04318%0.177CC..Hα-helixtrans-57.7-51.1177.8178.4-83.4000111.5V207 Y213 Y214 K215 V223 G239 L264V207-Y211 WeakPolarHBondContact O-CB 3.4Å; V207-Y211 PolarHBondContact O-N 3.13Å; Y211-Y213 VanDerWaalsContact C-N 3.32Å; Y211-Y213 PolarHBondContact O-N 2.66Å; Y211-Y214 PolarHBondContact O-N 3.06Å; Y211-Y214 VanDerWaalsContact O-N 3.14Å; Y211-K215 HydrophobicContact CD1-CG 3.97Å; Y211-K215 HydrophobicContact CE1-CD 4.43Å; Y211-K215 HydrophobicContact CE1-CG 3.6Å; Y211-K215 HydrophobicContact CE2-CD 4.47Å; Y211-K215 HydrophobicContact CE2-CG 4.46Å; Y211-K215 WeakPolarHBondContact O-CG 3.36Å; Y211-K215 PolarHBondContact O-N 2.91Å; Y211-V223 HydrophobicContact CD2-CB 4.48Å; Y211-G239 PolarHBondContact OH-O 3.31Å; Y211-L264 HydrophobicContact CD1-CB 4.06Å; Y211-L264 HydrophobicContact CD1-CD2 3.85Å; Y211-L264 HydrophobicContact CD1-CG 4.31Å; Y211-L264 HydrophobicContact CD2-CD2 4.04Å; Y211-L264 HydrophobicContact CE1-CB 3.88Å; Y211-L264 HydrophobicContact CE1-CD2 4.47Å; Y211-L264 HydrophobicContact CG-CB 4.49Å; Y211-L264 HydrophobicContact CG-CD2 3.62Å
212N98.1Very high98.1Very high29 Ų2937.5 Ų37.516%0.15519%0.19CC..Hα-helixtrans-62.6-40.4-178.1-74.4-13.5000111.8T208 S209 V210 K216 A269 C272T208-N212 VanDerWaalsContact O-CB 3.25Å; T208-N212 WeakPolarHBondContact O-CB 3.34Å; T208-N212 PolarHBondContact O-N 3.43Å; T208-N212 PolarHBondContact O-ND2 3.43Å; S209-N212 PolarHBondContact O-N 3.46Å; V210-N212 PolarHBondContact O-N 3.13Å; N212-K216 VanDerWaalsContact O-CB 3.25Å; N212-K216 WeakPolarHBondContact O-CB 3.23Å; N212-K216 PolarHBondContact O-N 3.28Å; N212-A269 HydrophobicContact CB-CB 4.24Å; N212-C272 HydrophobicContact CB-CB 4.03Å
213Y98.3Very high98.1Very high0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-60.6-44.9174.2-172.5-82.1000111.6L162 I166 S209 V210 Y211 Y217 Y219 L274 P275 M277L162-Y213 HydrophobicContact CD1-CG 4.47Å; I166-Y213 HydrophobicContact CB-CE1 4.31Å; I166-Y213 HydrophobicContact CD1-CD1 4.1Å; I166-Y213 HydrophobicContact CD1-CD2 3.85Å; I166-Y213 HydrophobicContact CD1-CE1 3.78Å; I166-Y213 HydrophobicContact CD1-CE2 3.48Å; I166-Y213 VanDerWaalsContact CD1-CE2 3.48Å; I166-Y213 HydrophobicContact CD1-CG 4.14Å; I166-Y213 VanDerWaalsContact CD1-CZ 3.46Å; I166-Y213 HydrophobicContact CG1-CD1 3.72Å; I166-Y213 HydrophobicContact CG1-CD2 4.35Å; I166-Y213 HydrophobicContact CG1-CE1 3.49Å; I166-Y213 VanDerWaalsContact CG1-CE1 3.49Å; I166-Y213 HydrophobicContact CG1-CE2 4.16Å; I166-Y213 HydrophobicContact CG1-CG 4.15Å; I166-Y213 HydrophobicContact CG2-CE1 4Å; S209-Y213 VanDerWaalsContact O-CB 3.31Å; S209-Y213 WeakPolarHBondContact O-CB 3.35Å; S209-Y213 PolarHBondContact O-N 3.24Å; V210-Y213 PolarHBondContact O-N 2.96Å; Y211-Y213 VanDerWaalsContact C-N 3.32Å; Y211-Y213 PolarHBondContact O-N 2.66Å; Y213-Y217 AromaticContact CD1-CD2 3.87Å; Y213-Y217 HydrophobicContact CD1-CD2 3.87Å; Y213-Y217 AromaticContact CD2-CD2 3.93Å; Y213-Y217 HydrophobicContact CD2-CD2 3.93Å; Y213-Y217 AromaticContact CD2-CE2 3.81Å; Y213-Y217 HydrophobicContact CD2-CE2 3.81Å; Y213-Y217 AromaticContact CE1-CD2 3.66Å; Y213-Y217 HydrophobicContact CE1-CD2 3.66Å; Y213-Y217 HydrophobicContact CE1-CE2 4.29Å; Y213-Y217 AromaticContact CE2-CD2 3.71Å; Y213-Y217 HydrophobicContact CE2-CD2 3.71Å; Y213-Y217 AromaticContact CE2-CE2 3.48Å; Y213-Y217 HydrophobicContact CE2-CE2 3.48Å; Y213-Y217 VanDerWaalsContact CE2-CE2 3.48Å; Y213-Y217 HydrophobicContact CG-CD2 4.01Å; Y213-Y217 HydrophobicContact CG-CE2 4.35Å; Y213-Y217 AromaticContact CZ-CD2 3.56Å; Y213-Y217 AromaticContact CZ-CE2 3.74Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.36Å; Y213-Y217 PolarHBondContact O-N 3.14Å; Y213-Y217 VanDerWaalsContact O-N 3.12Å; Y213-Y219 HydrophobicContact CD1-CD2 4.33Å; Y213-Y219 HydrophobicContact CD1-CE2 4.09Å; Y213-Y219 HydrophobicContact CE1-CD2 4.23Å; Y213-Y219 AromaticContact CE1-CE2 3.55Å; Y213-Y219 HydrophobicContact CE1-CE2 3.55Å; Y213-L274 HydrophobicContact CD2-CB 3.97Å; Y213-L274 HydrophobicContact CD2-CD1 4.23Å; Y213-L274 HydrophobicContact CE2-CB 4.48Å; Y213-P275 WeakPolarHBondContact CE2-O 3.19Å; Y213-M277 PolarHBondContact OH-N 3.07Å
214Y98.2Very high98.1Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-62-47.5179.9-74.47.8000112G165 A169 V176 V210 Y211 Y217 G218 Y219 T221 V223G165-Y214 WeakPolarHBondContact CA-OH 3.18Å; G165-Y214 WeakPolarHBondContact O-CE1 3.2Å; G165-Y214 PolarHBondContact O-OH 3.49Å; A169-Y214 HydrophobicContact CB-CD1 4.09Å; A169-Y214 HydrophobicContact CB-CE1 3.46Å; A169-Y214 VanDerWaalsContact CB-CE1 3.46Å; A169-Y214 HydrophobicContact CB-CE2 4.41Å; V176-Y214 WeakPolarHBondContact CG1-OH 3.02Å; V176-Y214 HydrophobicContact CG2-CE2 3.81Å; V210-Y214 HydrophobicContact CG1-CD1 4.31Å; V210-Y214 HydrophobicContact CG1-CD2 4.37Å; V210-Y214 HydrophobicContact CG1-CE1 3.83Å; V210-Y214 HydrophobicContact CG1-CE2 3.88Å; V210-Y214 WeakPolarHBondContact O-CD1 3.23Å; V210-Y214 PolarHBondContact O-N 3.09Å; Y211-Y214 PolarHBondContact O-N 3.06Å; Y211-Y214 VanDerWaalsContact O-N 3.14Å; Y214-Y217 PolarHBondContact O-N 3.35Å; Y214-G218 PolarHBondContact O-N 2.99Å; Y214-Y219 HydrophobicContact CD1-CD2 4.28Å; Y214-Y219 PolarHBondContact O-N 3.41Å; Y214-T221 HydrophobicContact CD2-CG2 4.44Å; Y214-T221 VanDerWaalsContact CD2-O 3.29Å; Y214-T221 WeakPolarHBondContact CD2-O 3.16Å; Y214-T221 HydrophobicContact CE2-CG2 3.63Å; Y214-V223 HydrophobicContact CD2-CG2 3.4Å; Y214-V223 VanDerWaalsContact CD2-CG2 3.4Å; Y214-V223 HydrophobicContact CE2-CG2 3.57Å; Y214-V223 HydrophobicContact CG-CG2 4.35Å
215K97.6Very high98.1Very high46 Ų4636.9 Ų36.920%0.219%0.186CC..Hα-helixtrans-66.9-44.1-179.7-55.7-39.8176.3-168.80111.4Y211 Y217 G218 D241 A269Y211-K215 HydrophobicContact CD1-CG 3.97Å; Y211-K215 HydrophobicContact CE1-CD 4.43Å; Y211-K215 HydrophobicContact CE1-CG 3.6Å; Y211-K215 HydrophobicContact CE2-CD 4.47Å; Y211-K215 HydrophobicContact CE2-CG 4.46Å; Y211-K215 WeakPolarHBondContact O-CG 3.36Å; Y211-K215 PolarHBondContact O-N 2.91Å; K215-Y217 VanDerWaalsContact C-N 3.28Å; K215-Y217 PolarHBondContact O-N 3.13Å; K215-G218 PolarHBondContact O-N 2.93Å; K215-D241 WeakPolarHBondContact CE-OD1 3.28Å; K215-D241 IonicContact NZ-OD1 3.07Å; K215-D241 PolarHBondContact NZ-OD1 2.87Å; K215-D241 IonicContact NZ-OD2 3.77Å; K215-D241 PolarHBondContact NZ-OD2 3.34Å; K215-A269 HydrophobicContact CB-CB 3.47Å; K215-A269 VanDerWaalsContact CB-CB 3.47Å; K215-A269 HydrophobicContact CG-CB 4.1Å
216K96Very high98.1Very high69 Ų6932.3 Ų32.330%0.317%0.165SC..Hα-helixtrans-54.1-42.2176.3176.2177.4-178.4-179.60112.9N212 C272 L274N212-K216 VanDerWaalsContact O-CB 3.25Å; N212-K216 WeakPolarHBondContact O-CB 3.23Å; N212-K216 PolarHBondContact O-N 3.28Å; K216-C272 HydrophobicContact CB-CB 4.35Å; K216-C272 HydrophobicContact CD-CB 3.87Å; K216-C272 VanDerWaalsContact CD-O 3.31Å; K216-C272 WeakPolarHBondContact CD-O 3.31Å; K216-C272 VanDerWaalsContact CE-O 3.29Å; K216-C272 WeakPolarHBondContact CE-O 3.45Å; K216-C272 PolarHBondContact NZ-O 2.7Å; K216-L274 PolarHBondContact NZ-O 3.28Å
217Y96.3Very high98.1Very high60 Ų6032.2 Ų32.224%0.23517%0.166CC..THydrogen-bonded Turntrans-101.17.7-175.8-67.3-59.9000114.3Y213 Y214 K215 Y219 L274 P275 K276Y213-Y217 AromaticContact CD1-CD2 3.87Å; Y213-Y217 HydrophobicContact CD1-CD2 3.87Å; Y213-Y217 AromaticContact CD2-CD2 3.93Å; Y213-Y217 HydrophobicContact CD2-CD2 3.93Å; Y213-Y217 AromaticContact CD2-CE2 3.81Å; Y213-Y217 HydrophobicContact CD2-CE2 3.81Å; Y213-Y217 AromaticContact CE1-CD2 3.66Å; Y213-Y217 HydrophobicContact CE1-CD2 3.66Å; Y213-Y217 HydrophobicContact CE1-CE2 4.29Å; Y213-Y217 AromaticContact CE2-CD2 3.71Å; Y213-Y217 HydrophobicContact CE2-CD2 3.71Å; Y213-Y217 AromaticContact CE2-CE2 3.48Å; Y213-Y217 HydrophobicContact CE2-CE2 3.48Å; Y213-Y217 VanDerWaalsContact CE2-CE2 3.48Å; Y213-Y217 HydrophobicContact CG-CD2 4.01Å; Y213-Y217 HydrophobicContact CG-CE2 4.35Å; Y213-Y217 AromaticContact CZ-CD2 3.56Å; Y213-Y217 AromaticContact CZ-CE2 3.74Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.36Å; Y213-Y217 PolarHBondContact O-N 3.14Å; Y213-Y217 VanDerWaalsContact O-N 3.12Å; Y214-Y217 PolarHBondContact O-N 3.35Å; K215-Y217 VanDerWaalsContact C-N 3.28Å; K215-Y217 PolarHBondContact O-N 3.13Å; Y217-Y219 VanDerWaalsContact C-N 3.33Å; Y217-Y219 HydrophobicContact CG-CE2 4.43Å; Y217-Y219 PolarHBondContact O-N 3.33Å; Y217-L274 PolarHBondContact OH-O 2.91Å; Y217-P275 VanDerWaalsContact OH-C 3.27Å; Y217-K276 HydrophobicContact CD1-CB 4.2Å; Y217-K276 HydrophobicContact CD1-CD 3.92Å; Y217-K276 HydrophobicContact CD1-CG 4.05Å; Y217-K276 HydrophobicContact CE1-CB 3.6Å; Y217-K276 HydrophobicContact CE1-CD 4.08Å; Y217-K276 HydrophobicContact CE1-CG 3.99Å; Y217-K276 HydrophobicContact CE2-CB 4.18Å; Y217-K276 HydrophobicContact CG-CG 4.37Å; Y217-K276 PolarHBondContact OH-N 2.92Å
218G96.2Very high98.1Very high48 Ų4832.9 Ų32.950%0.49517%0.169SC..THydrogen-bonded Turntrans70.122.1173.900000115.2Y214 K215Y214-G218 PolarHBondContact O-N 2.99Å; K215-G218 PolarHBondContact O-N 2.93Å
219Y98.1Very high98.1Very high45 Ų4536 Ų3618%0.17618%0.176CC..  trans-65.3137.3175.8-71.1-77.1000110.8A169 Q170 Y213 Y214 Y217A169-Y219 HydrophobicContact CB-CD1 3.54Å; A169-Y219 HydrophobicContact CB-CD2 4.37Å; A169-Y219 HydrophobicContact CB-CE1 3.95Å; A169-Y219 HydrophobicContact CB-CG 3.77Å; Q170-Y219 HydrophobicContact CG-CE1 4.27Å; Y213-Y219 HydrophobicContact CD1-CD2 4.33Å; Y213-Y219 HydrophobicContact CD1-CE2 4.09Å; Y213-Y219 HydrophobicContact CE1-CD2 4.23Å; Y213-Y219 AromaticContact CE1-CE2 3.55Å; Y213-Y219 HydrophobicContact CE1-CE2 3.55Å; Y214-Y219 HydrophobicContact CD1-CD2 4.28Å; Y214-Y219 PolarHBondContact O-N 3.41Å; Y217-Y219 VanDerWaalsContact C-N 3.33Å; Y217-Y219 HydrophobicContact CG-CE2 4.43Å; Y217-Y219 PolarHBondContact O-N 3.33Å
220K98.1Very high98.1Very high194 Ų19436.5 Ų36.584%0.84318%0.176SC*.  trans-86.1-16.7-179.3-59.5-56.5-178.3-174.20113.7Q222K220-Q222 PolarHBondContact O-N 3.4Å
221T98.9Very high98.1Very high6 Ų637.8 Ų37.84%0.03718%0.183CC..PPolyproline II helixtrans-52.9127.8174.4-54.50000110.8A173 V176 Y214A173-T221 WeakPolarHBondContact O-CA 3.45Å; A173-T221 VanDerWaalsContact O-CB 3.27Å; A173-T221 WeakPolarHBondContact O-CB 3.38Å; A173-T221 WeakPolarHBondContact O-CG2 3.44Å; A173-T221 PolarHBondContact O-OG1 2.96Å; V176-T221 HydrophobicContact CB-CG2 4.49Å; V176-T221 HydrophobicContact CG1-CG2 3.63Å; V176-T221 HydrophobicContact CG2-CG2 4.35Å; Y214-T221 HydrophobicContact CD2-CG2 4.44Å; Y214-T221 VanDerWaalsContact CD2-O 3.29Å; Y214-T221 WeakPolarHBondContact CD2-O 3.16Å; Y214-T221 HydrophobicContact CE2-CG2 3.63Å
222Q98.8Very high98Very high65 Ų6541 Ų4130%0.30420%0.201SC..EExtended strand (participates in β ladder)trans-83.6140.8179.2-56.7-179.5-57.900110.5T174 L175 V176 K220 D241 L242T174-Q222 PolarHBondContact O-N 2.84Å; L175-Q222 CarbonylContact C-O 3.6Å; L175-Q222 WeakPolarHBondContact CA-O 3.1Å; L175-Q222 HydrophobicContact CB-CB 4.41Å; L175-Q222 HydrophobicContact CD1-CB 4.3Å; L175-Q222 HydrophobicContact CG-CB 4.27Å; V176-Q222 PolarHBondContact N-O 3.48Å; K220-Q222 PolarHBondContact O-N 3.4Å; Q222-D241 HydrophobicContact CB-CB 4.31Å; Q222-L242 HydrophobicContact CB-CD1 3.7Å; Q222-L242 HydrophobicContact CG-CD1 4.34Å
223V98.9Very high98.1Very high0 Ų039.7 Ų39.70%019%0.194CC..EExtended strand (participates in β ladder)trans-98.9119.3174.1-173.40000110.4V176 P178 V207 V210 Y211 Y214 C240 D241 L242V176-V223 HydrophobicContact CG2-CB 4.42Å; V176-V223 HydrophobicContact CG2-CG1 4.4Å; V176-V223 HydrophobicContact CG2-CG2 4.14Å; P178-V223 HydrophobicContact CG-CG1 4.08Å; V207-V223 HydrophobicContact CG1-CG1 3.73Å; V210-V223 HydrophobicContact CG1-CG1 4.49Å; V210-V223 HydrophobicContact CG1-CG2 3.98Å; Y211-V223 HydrophobicContact CD2-CB 4.48Å; Y214-V223 HydrophobicContact CD2-CG2 3.4Å; Y214-V223 VanDerWaalsContact CD2-CG2 3.4Å; Y214-V223 HydrophobicContact CE2-CG2 3.57Å; Y214-V223 HydrophobicContact CG-CG2 4.35Å; V223-C240 PolarHBondContact O-SG 3.1Å; V223-D241 PolarHBondContact N-OD2 3.32Å; V223-D241 WeakPolarHBondContact O-CB 3.48Å; V223-L242 PolarHBondContact O-N 2.98Å; V223-L242 VanDerWaalsContact O-N 3.08Å
224M98.8Very high98.1Very high2 Ų239.7 Ų39.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-112.596.9174-172.3164.868.500111.3V14 T32 L175 V176 S177 P178 A226 L242 T244V14-M224 HydrophobicContact CB-SD 3.99Å; V14-M224 HydrophobicContact CG1-SD 3.91Å; V14-M224 HydrophobicContact CG2-SD 3.74Å; T32-M224 HydrophobicContact CG2-CE 3.34Å; T32-M224 HydrophobicContact CG2-SD 4.3Å; L175-M224 HydrophobicContact CD1-CB 4.17Å; L175-M224 HydrophobicContact CD1-CE 4.44Å; L175-M224 HydrophobicContact CD1-SD 4.34Å; L175-M224 HydrophobicContact CD2-CB 3.86Å; L175-M224 HydrophobicContact CD2-CE 3.75Å; L175-M224 HydrophobicContact CG-CB 4.2Å; V176-M224 PolarHBondContact O-N 3.33Å; S177-M224 VanDerWaalsContact CA-O 3.28Å; S177-M224 WeakPolarHBondContact CA-O 3.38Å; S177-M224 VanDerWaalsContact OG-CE 3.23Å; S177-M224 WeakPolarHBondContact OG-CE 3.5Å; P178-M224 WeakPolarHBondContact CD-O 3.2Å; M224-A226 PolarHBondContact O-N 3.43Å; M224-L242 VanDerWaalsContact CA-O 3.27Å; M224-L242 WeakPolarHBondContact CA-O 3.49Å; M224-L242 HydrophobicContact CB-CB 3.87Å; M224-L242 HydrophobicContact CG-CB 3.66Å; M224-L242 HydrophobicContact SD-CB 3.98Å; M224-L242 HydrophobicContact SD-CD2 4.38Å; M224-T244 HydrophobicContact CE-CG2 4.1Å; M224-T244 HydrophobicContact CG-CG2 4.26Å; M224-T244 HydrophobicContact SD-CG2 4.31Å
225G98.8Very high98.1Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-58.7137.7173.800000111.1F228 L242 L243 T244G225-F228 VanDerWaalsContact C-CZ 3.45Å; G225-F228 VanDerWaalsContact O-CE2 3.24Å; G225-F228 WeakPolarHBondContact O-CE2 3.5Å; G225-F228 WeakPolarHBondContact O-CZ 3.41Å; G225-L242 PolarHBondContact N-O 2.85Å; G225-L243 WeakPolarHBondContact O-CA 3.41Å; G225-T244 PolarHBondContact O-N 3.46Å
226A98.6Very high98.1Very high3 Ų338.8 Ų38.83%0.02519%0.19CC..BIsolated β-bridgetrans-141.6172.5-172.300000113P178 F179 V180 M224 F228 T244P178-A226 PolarHBondContact O-N 3.45Å; F179-A226 HydrophobicContact CD1-CB 3.88Å; F179-A226 HydrophobicContact CE1-CB 4Å; V180-A226 PolarHBondContact N-O 2.63Å; M224-A226 PolarHBondContact O-N 3.43Å; A226-F228 PolarHBondContact O-N 2.97Å; A226-T244 HydrophobicContact CB-CG2 3.48Å; A226-T244 VanDerWaalsContact CB-CG2 3.48Å
227S98Very high98.3Very high18 Ų1835.5 Ų35.513%0.12618%0.176CC..  trans56.446.5174.9177.20000113.3G181 R229G181-S227 WeakPolarHBondContact CA-O 3.48Å; G181-S227 PolarHBondContact N-O 3.21Å; S227-R229 PolarHBondContact O-NH1 3.23Å; S227-R229 PolarHBondContact OG-NH1 3.42Å
228F98.7Very high98.4Very high14 Ų1432.6 Ų32.66%0.06117%0.165CC..  trans-67152177.6-60.7-71.5000113.2V180 G225 A226 Q233 V234 L237 L243 T244 I245 L249V180-F228 HydrophobicContact CB-CD1 4.16Å; V180-F228 HydrophobicContact CB-CE1 4.06Å; V180-F228 HydrophobicContact CG1-CD1 4.3Å; V180-F228 HydrophobicContact CG1-CE1 4.3Å; V180-F228 HydrophobicContact CG2-CD1 4.35Å; V180-F228 HydrophobicContact CG2-CE1 3.75Å; V180-F228 HydrophobicContact CG2-CZ 4.31Å; G225-F228 VanDerWaalsContact C-CZ 3.45Å; G225-F228 VanDerWaalsContact O-CE2 3.24Å; G225-F228 WeakPolarHBondContact O-CE2 3.5Å; G225-F228 WeakPolarHBondContact O-CZ 3.41Å; A226-F228 PolarHBondContact O-N 2.97Å; F228-Q233 HydrophobicContact CD1-CB 3.65Å; F228-Q233 HydrophobicContact CE1-CB 4.24Å; F228-V234 HydrophobicContact CB-CG2 4.08Å; F228-V234 HydrophobicContact CD1-CG2 3.8Å; F228-V234 HydrophobicContact CD2-CG2 3.9Å; F228-V234 HydrophobicContact CE1-CG2 4.22Å; F228-V234 HydrophobicContact CE2-CG2 4.32Å; F228-V234 HydrophobicContact CG-CG2 3.63Å; F228-V234 HydrophobicContact CZ-CG2 4.49Å; F228-L237 HydrophobicContact CE1-CD1 3.92Å; F228-L237 HydrophobicContact CZ-CD1 4.24Å; F228-L243 HydrophobicContact CE2-CB 4.17Å; F228-L243 HydrophobicContact CE2-CD2 4.3Å; F228-L243 HydrophobicContact CZ-CB 4.31Å; F228-L243 HydrophobicContact CZ-CD2 3.61Å; F228-L243 HydrophobicContact CZ-CG 4.38Å; F228-T244 WeakPolarHBondContact CD2-O 3.23Å; F228-T244 VanDerWaalsContact CE2-O 3.3Å; F228-T244 WeakPolarHBondContact CE2-O 3.4Å; F228-I245 HydrophobicContact CD2-CG1 4.22Å; F228-I245 HydrophobicContact CE2-CG1 4.16Å; F228-L249 HydrophobicContact CB-CD1 3.41Å; F228-L249 VanDerWaalsContact CB-CD1 3.41Å
229R98Very high98.5Very high101 Ų10130.5 Ų30.538%0.38114%0.143SC..SBendtrans-108.4-28.7173.1-63.5-68.4171.9-89.90.3112.6D185 S227D185-R229 IonicContact OD1-NE 3.92Å; D185-R229 PolarHBondContact OD1-NE 2.88Å; D185-R229 VanDerWaalsContact OD1-NE 3.15Å; D185-R229 IonicContact OD2-CZ 2.82Å; D185-R229 VanDerWaalsContact OD2-CZ 3.28Å; D185-R229 IonicContact OD2-NE 3.2Å; D185-R229 PolarHBondContact OD2-NE 3.05Å; D185-R229 IonicContact OD2-NH2 3.85Å; D185-R229 PolarHBondContact OD2-NH2 3.13Å; S227-R229 PolarHBondContact O-NH1 3.23Å; S227-R229 PolarHBondContact OG-NH1 3.42Å
230N98Very high98.5Very high56 Ų5628.3 Ų28.330%0.29913%0.134SC..SBendtrans-149.1168.5-175.358.956.9000110.7D232 Q233N230-D232 VanDerWaalsContact C-N 3.31Å; N230-D232 PolarHBondContact OD1-N 3.26Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.41Å; N230-Q233 PolarHBondContact OD1-N 3.43Å
231T98.1Very high98.5Very high26 Ų2621 Ų2116%0.1610%0.104CC..Hα-helixtrans-70.2-27.8179.848.70000112.6Q233 V234 K235 L249 K252 L253T231-Q233 VanDerWaalsContact C-N 3.34Å; T231-Q233 PolarHBondContact O-N 2.87Å; T231-V234 WeakPolarHBondContact O-CB 3.39Å; T231-V234 PolarHBondContact O-N 3.2Å; T231-V234 VanDerWaalsContact O-N 3.12Å; T231-K235 VanDerWaalsContact O-CG 3.29Å; T231-K235 WeakPolarHBondContact O-CG 3.2Å; T231-K235 PolarHBondContact O-N 3.18Å; T231-L249 HydrophobicContact CG2-CD2 4.22Å; T231-K252 HydrophobicContact CG2-CB 3.69Å; T231-K252 HydrophobicContact CG2-CD 4.43Å; T231-L253 HydrophobicContact CG2-CD2 3.9Å; T231-L253 HydrophobicContact CG2-CG 3.89Å
232D98.3Very high98.5Very high79 Ų7920.8 Ų20.842%0.42210%0.103SC..Hα-helixtrans-63.5-41.7-179.5-68.9-9.7000111M198 N230 V234 K235 G236M198-D232 HydrophobicContact CB-CB 4.21Å; M198-D232 HydrophobicContact CG-CB 4.09Å; M198-D232 WeakPolarHBondContact CG-O 3.26Å; N230-D232 VanDerWaalsContact C-N 3.31Å; N230-D232 PolarHBondContact OD1-N 3.26Å; D232-V234 VanDerWaalsContact C-N 3.28Å; D232-V234 PolarHBondContact O-N 3.04Å; D232-K235 PolarHBondContact O-N 3.44Å; D232-G236 PolarHBondContact O-N 3.22Å
233Q98.7Very high98.5Very high1 Ų117.7 Ų17.71%0.0059%0.089CC..Hα-helixtrans-58.2-39.9173.3-71.3175.2-21.100112.8V180 L184 D201 V204 F228 N230 T231 L237V180-Q233 HydrophobicContact CG1-CB 3.95Å; V180-Q233 HydrophobicContact CG1-CG 3.86Å; L184-Q233 VanDerWaalsContact CD2-NE2 3.29Å; D201-Q233 WeakPolarHBondContact OD2-CG 3.44Å; D201-Q233 PolarHBondContact OD2-NE2 3.5Å; V204-Q233 HydrophobicContact CG2-CB 4.12Å; V204-Q233 HydrophobicContact CG2-CG 4.09Å; F228-Q233 HydrophobicContact CD1-CB 3.65Å; F228-Q233 HydrophobicContact CE1-CB 4.24Å; N230-Q233 WeakPolarHBondContact OD1-CG 3.41Å; N230-Q233 PolarHBondContact OD1-N 3.43Å; T231-Q233 VanDerWaalsContact C-N 3.34Å; T231-Q233 PolarHBondContact O-N 2.87Å; Q233-L237 PolarHBondContact O-N 2.81Å
234V98.7Very high98.5Very high1 Ų117.9 Ų17.91%0.0069%0.09CC..Hα-helixtrans-66.4-46.5176.1-177.70000110.3L7 F228 T231 D232 G236 L237 C238 L243 I245 L253L7-V234 HydrophobicContact CD2-CG1 3.68Å; F228-V234 HydrophobicContact CB-CG2 4.08Å; F228-V234 HydrophobicContact CD1-CG2 3.8Å; F228-V234 HydrophobicContact CD2-CG2 3.9Å; F228-V234 HydrophobicContact CE1-CG2 4.22Å; F228-V234 HydrophobicContact CE2-CG2 4.32Å; F228-V234 HydrophobicContact CG-CG2 3.63Å; F228-V234 HydrophobicContact CZ-CG2 4.49Å; T231-V234 WeakPolarHBondContact O-CB 3.39Å; T231-V234 PolarHBondContact O-N 3.2Å; T231-V234 VanDerWaalsContact O-N 3.12Å; D232-V234 VanDerWaalsContact C-N 3.28Å; D232-V234 PolarHBondContact O-N 3.04Å; V234-G236 PolarHBondContact O-N 3.36Å; V234-L237 CarbonylContact O-C 3.56Å; V234-L237 PolarHBondContact O-N 3.09Å; V234-C238 PolarHBondContact O-N 3.25Å; V234-L243 HydrophobicContact CG1-CD1 3.9Å; V234-I245 HydrophobicContact CG1-CD1 3.63Å; V234-I245 HydrophobicContact CG1-CG1 4.36Å; V234-I245 HydrophobicContact CG2-CD1 4.49Å; V234-I245 HydrophobicContact CG2-CG1 4.43Å; V234-I245 HydrophobicContact CG2-CG2 4.39Å; V234-L253 HydrophobicContact CB-CD1 4.26Å; V234-L253 HydrophobicContact CG1-CD1 3.78Å; V234-L253 HydrophobicContact CG2-CD1 4.45Å
235K98.5Very high98.5Very high26 Ų2617.8 Ų17.811%0.1139%0.089CC..Hα-helixtrans-64.6-40.6-179.6-66.6-179.6-176.4-179.80112.4M198 T231 D232 L237 C238 L253 D256 S258 L260 H263M198-K235 HydrophobicContact SD-CB 3.81Å; T231-K235 VanDerWaalsContact O-CG 3.29Å; T231-K235 WeakPolarHBondContact O-CG 3.2Å; T231-K235 PolarHBondContact O-N 3.18Å; D232-K235 PolarHBondContact O-N 3.44Å; K235-L237 PolarHBondContact O-N 2.89Å; K235-C238 VanDerWaalsContact O-CB 3.26Å; K235-C238 WeakPolarHBondContact O-CB 3.13Å; K235-C238 PolarHBondContact O-N 3.4Å; K235-L253 HydrophobicContact CG-CD2 4.3Å; K235-D256 WeakPolarHBondContact CE-OD2 3.24Å; K235-D256 IonicContact NZ-OD1 2.66Å; K235-D256 IonicContact NZ-OD2 3.92Å; K235-D256 PolarHBondContact NZ-OD2 2.94Å; K235-S258 PolarHBondContact NZ-OG 3.21Å; K235-L260 HydrophobicContact CB-CD1 3.6Å; K235-L260 HydrophobicContact CD-CD1 4.14Å; K235-L260 HydrophobicContact CG-CD1 3.5Å; K235-H263 PolarHBondContact O-CD2 2.94Å
236G98.4Very high98.4Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-62-21.9176.400000113.2D232 V234 H263D232-G236 PolarHBondContact O-N 3.22Å; V234-G236 PolarHBondContact O-N 3.36Å; G236-H263 WeakPolarHBondContact O-CB 3.48Å
237L98.7Very high98.3Very high0 Ų021 Ų210%011%0.111CC..THydrogen-bonded Turntrans-103.413.4175.9-65-179.3000114.2V180 V204 V207 F228 Q233 V234 K235 G239 C240 L243 L264V180-L237 HydrophobicContact CG2-CD1 3.74Å; V204-L237 HydrophobicContact CB-CD2 4.46Å; V204-L237 HydrophobicContact CG1-CD2 3.82Å; V204-L237 HydrophobicContact CG1-CG 4.16Å; V204-L237 HydrophobicContact CG2-CG 4.42Å; V207-L237 HydrophobicContact CB-CD1 3.87Å; V207-L237 HydrophobicContact CB-CD2 3.84Å; V207-L237 HydrophobicContact CG1-CD1 3.86Å; V207-L237 HydrophobicContact CG1-CD2 3.93Å; V207-L237 HydrophobicContact CG2-CD1 4.06Å; F228-L237 HydrophobicContact CE1-CD1 3.92Å; F228-L237 HydrophobicContact CZ-CD1 4.24Å; Q233-L237 PolarHBondContact O-N 2.81Å; V234-L237 CarbonylContact O-C 3.56Å; V234-L237 PolarHBondContact O-N 3.09Å; K235-L237 PolarHBondContact O-N 2.89Å; L237-G239 PolarHBondContact O-N 3.31Å; L237-C240 HydrophobicContact CB-CB 4.47Å; L237-C240 WeakPolarHBondContact O-CB 3.46Å; L237-C240 PolarHBondContact O-N 3.05Å; L237-L243 HydrophobicContact CB-CD1 4.3Å; L237-L243 HydrophobicContact CB-CD2 3.89Å; L237-L243 HydrophobicContact CD1-CD2 4.14Å; L237-L264 HydrophobicContact CD2-CD1 4.08Å; L237-L264 HydrophobicContact CD2-CD2 4.33Å
238C98.5Very high98.2Very high0 Ų022.9 Ų22.90%013%0.127CC..THydrogen-bonded Turntrans-56.9124.5173.5-177.30000110.9L7 Y10 V234 K235 L260 K261 H263 L264L7-C238 HydrophobicContact CD1-CB 4.08Å; Y10-C238 VanDerWaalsContact CD2-SG 3.57Å; V234-C238 PolarHBondContact O-N 3.25Å; K235-C238 VanDerWaalsContact O-CB 3.26Å; K235-C238 WeakPolarHBondContact O-CB 3.13Å; K235-C238 PolarHBondContact O-N 3.4Å; C238-L260 HydrophobicContact CB-CD1 4.32Å; C238-L260 HydrophobicContact CB-CD2 3.96Å; C238-L260 HydrophobicContact CB-CG 4.02Å; C238-L260 WeakPolarHBondContact SG-CD2 3.29Å; C238-K261 WeakPolarHBondContact CB-O 3.43Å; C238-H263 PolarHBondContact O-N 3.43Å; C238-L264 PolarHBondContact O-N 3.14Å
239G98.3Very high98.2Very high3 Ų322.5 Ų22.53%0.03113%0.126CC..THydrogen-bonded Turntrans99.9-3.3-172.800000115T11 Y211 L237 L264T11-G239 WeakPolarHBondContact OG1-CA 3.33Å; T11-G239 PolarHBondContact OG1-N 3.48Å; Y211-G239 PolarHBondContact OH-O 3.31Å; L237-G239 PolarHBondContact O-N 3.31Å; G239-L264 VanDerWaalsContact CA-O 3.31Å; G239-L264 WeakPolarHBondContact CA-O 3.48Å
240C98.4Very high98.2Very high0 Ų017.7 Ų17.70%011%0.108CC..SBendtrans-61.1156.8164.4-163.60000110.1T11 V223 L237 L242 L243 L264T11-C240 WeakPolarHBondContact CB-O 3.47Å; T11-C240 VanDerWaalsContact CG2-O 3.25Å; T11-C240 WeakPolarHBondContact CG2-O 3.25Å; T11-C240 PolarHBondContact OG1-N 2.95Å; T11-C240 PolarHBondContact OG1-O 3.3Å; V223-C240 PolarHBondContact O-SG 3.1Å; L237-C240 HydrophobicContact CB-CB 4.47Å; L237-C240 WeakPolarHBondContact O-CB 3.46Å; L237-C240 PolarHBondContact O-N 3.05Å; C240-L242 PolarHBondContact O-N 2.93Å; C240-L243 HydrophobicContact CB-CD2 3.97Å; C240-L243 HydrophobicContact CB-CG 4.41Å; C240-L264 HydrophobicContact CB-CD2 4.17Å
241D98.5Very high98.1Very high39 Ų3920 Ų2021%0.20912%0.117CC..SBendtrans-60.7-49.6-175.6-58.4-48.8000111.1T12 K215 Q222 V223T12-D241 WeakPolarHBondContact CB-O 3.42Å; T12-D241 PolarHBondContact N-O 3.45Å; T12-D241 VanDerWaalsContact N-O 3.17Å; T12-D241 PolarHBondContact OG1-O 2.99Å; K215-D241 WeakPolarHBondContact CE-OD1 3.28Å; K215-D241 IonicContact NZ-OD1 3.07Å; K215-D241 PolarHBondContact NZ-OD1 2.87Å; K215-D241 IonicContact NZ-OD2 3.77Å; K215-D241 PolarHBondContact NZ-OD2 3.34Å; Q222-D241 HydrophobicContact CB-CB 4.31Å; V223-D241 PolarHBondContact N-OD2 3.32Å; V223-D241 WeakPolarHBondContact O-CB 3.48Å
242L98.8Very high98.1Very high3 Ų324.7 Ų24.72%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-137.5159.6174.6-55.294.9000110.6T12 V14 L175 Q222 V223 M224 G225 C240T12-L242 HydrophobicContact CG2-CD2 3.93Å; T12-L242 HydrophobicContact CG2-CG 4.29Å; T12-L242 CarbonylContact O-C 3.59Å; T12-L242 VanDerWaalsContact O-CA 3.28Å; T12-L242 WeakPolarHBondContact O-CA 3.36Å; V14-L242 HydrophobicContact CG2-CB 4.1Å; V14-L242 HydrophobicContact CG2-CD2 3.72Å; L175-L242 HydrophobicContact CD1-CD1 3.87Å; L175-L242 HydrophobicContact CD1-CD2 4.28Å; Q222-L242 HydrophobicContact CB-CD1 3.7Å; Q222-L242 HydrophobicContact CG-CD1 4.34Å; V223-L242 PolarHBondContact O-N 2.98Å; V223-L242 VanDerWaalsContact O-N 3.08Å; M224-L242 VanDerWaalsContact CA-O 3.27Å; M224-L242 WeakPolarHBondContact CA-O 3.49Å; M224-L242 HydrophobicContact CB-CB 3.87Å; M224-L242 HydrophobicContact CG-CB 3.66Å; M224-L242 HydrophobicContact SD-CB 3.98Å; M224-L242 HydrophobicContact SD-CD2 4.38Å; G225-L242 PolarHBondContact N-O 2.85Å; C240-L242 PolarHBondContact O-N 2.93Å
243L98.8Very high98.1Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-137.5126.8164.7-61.2168.8000108.8L7 T11 T12 V14 G225 F228 V234 L237 C240 I245L7-L243 HydrophobicContact CD1-CD1 4.08Å; L7-L243 HydrophobicContact CD2-CD1 4.37Å; T11-L243 HydrophobicContact CG2-CB 4.18Å; T11-L243 HydrophobicContact CG2-CD1 3.77Å; T11-L243 HydrophobicContact CG2-CG 3.62Å; T12-L243 PolarHBondContact O-N 2.6Å; V14-L243 WeakPolarHBondContact CB-O 3.46Å; V14-L243 PolarHBondContact N-O 3.28Å; G225-L243 WeakPolarHBondContact O-CA 3.41Å; F228-L243 HydrophobicContact CE2-CB 4.17Å; F228-L243 HydrophobicContact CE2-CD2 4.3Å; F228-L243 HydrophobicContact CZ-CB 4.31Å; F228-L243 HydrophobicContact CZ-CD2 3.61Å; F228-L243 HydrophobicContact CZ-CG 4.38Å; V234-L243 HydrophobicContact CG1-CD1 3.9Å; L237-L243 HydrophobicContact CB-CD1 4.3Å; L237-L243 HydrophobicContact CB-CD2 3.89Å; L237-L243 HydrophobicContact CD1-CD2 4.14Å; C240-L243 HydrophobicContact CB-CD2 3.97Å; C240-L243 HydrophobicContact CB-CG 4.41Å; L243-I245 HydrophobicContact CB-CD1 4.02Å; L243-I245 HydrophobicContact CB-CG1 3.96Å
244T98.6Very high98Very high3 Ų322.3 Ų22.32%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-95.2116.3171.5-168.40000110.4V14 D16 T32 M224 G225 A226 F228V14-T244 WeakPolarHBondContact O-CA 3.42Å; D16-T244 WeakPolarHBondContact CB-OG1 3.47Å; D16-T244 PolarHBondContact N-OG1 2.89Å; T32-T244 HydrophobicContact CG2-CG2 4.27Å; T32-T244 PolarHBondContact OG1-OG1 3.11Å; M224-T244 HydrophobicContact CE-CG2 4.1Å; M224-T244 HydrophobicContact CG-CG2 4.26Å; M224-T244 HydrophobicContact SD-CG2 4.31Å; G225-T244 PolarHBondContact O-N 3.46Å; A226-T244 HydrophobicContact CB-CG2 3.48Å; A226-T244 VanDerWaalsContact CB-CG2 3.48Å; F228-T244 WeakPolarHBondContact CD2-O 3.23Å; F228-T244 VanDerWaalsContact CE2-O 3.3Å; F228-T244 WeakPolarHBondContact CE2-O 3.4Å
245I98.4Very high98Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-124.2133.5-163.2-53.1168.8000108.7L7 V13 V14 D16 F228 V234 L243 L249 L250 L253L7-I245 HydrophobicContact CD2-CD1 3.85Å; V13-I245 HydrophobicContact CG1-CD1 4.41Å; V14-I245 PolarHBondContact O-N 3.46Å; D16-I245 PolarHBondContact N-O 3.48Å; F228-I245 HydrophobicContact CD2-CG1 4.22Å; F228-I245 HydrophobicContact CE2-CG1 4.16Å; V234-I245 HydrophobicContact CG1-CD1 3.63Å; V234-I245 HydrophobicContact CG1-CG1 4.36Å; V234-I245 HydrophobicContact CG2-CD1 4.49Å; V234-I245 HydrophobicContact CG2-CG1 4.43Å; V234-I245 HydrophobicContact CG2-CG2 4.39Å; L243-I245 HydrophobicContact CB-CD1 4.02Å; L243-I245 HydrophobicContact CB-CG1 3.96Å; I245-L249 HydrophobicContact CG2-CB 3.58Å; I245-L250 HydrophobicContact CB-CD2 3.83Å; I245-L250 HydrophobicContact CB-CG 3.97Å; I245-L250 HydrophobicContact CD1-CD2 4.05Å; I245-L250 HydrophobicContact CG2-CD2 3.9Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; I245-L253 HydrophobicContact CD1-CD1 4.33Å; I245-L253 HydrophobicContact CG2-CD1 4.46Å
246S97.3Very high98Very high37 Ų3728.6 Ų28.626%0.25916%0.161SC..  trans-66.5150.5176.568.90000111A248 L249 L250S246-A248 VanDerWaalsContact C-N 3.29Å; S246-A248 PolarHBondContact O-N 3.14Å; S246-L249 PolarHBondContact O-N 3.04Å; S246-L250 PolarHBondContact O-N 3.42Å
247P96.1Very high97.9Very high34 Ų3433.7 Ų33.722%0.22120%0.197CC..Hα-helixtrans-52.6-42.6179.3-33.539.7000115.4D16 A17 T22 F26 L249 L250 E251D16-P247 WeakPolarHBondContact O-CD 3.48Å; A17-P247 HydrophobicContact CB-CG 3.94Å; T22-P247 HydrophobicContact CG2-CB 3.11Å; T22-P247 HydrophobicContact CG2-CG 3.1Å; F26-P247 HydrophobicContact CE2-CB 4.22Å; P247-L249 PolarHBondContact O-N 3.06Å; P247-L250 WeakPolarHBondContact O-CB 3.44Å; P247-L250 PolarHBondContact O-N 3.5Å; P247-E251 PolarHBondContact O-N 2.93Å
248A96.6Very high97.8Very high57 Ų5735.9 Ų35.947%0.47121%0.212SC..Hα-helixtrans-62.6-32.517900000112.5S246 K252S246-A248 VanDerWaalsContact C-N 3.29Å; S246-A248 PolarHBondContact O-N 3.14Å; A248-K252 WeakPolarHBondContact O-CG 3.39Å; A248-K252 PolarHBondContact O-N 3.35Å
249L98.1Very high97.7Very high7 Ų741 Ų414%0.03725%0.248CC..Hα-helixtrans-80.8-35.3175.4-68.8178.2000111.8F228 T231 I245 S246 P247 E251 K252 L253F228-L249 HydrophobicContact CB-CD1 3.41Å; F228-L249 VanDerWaalsContact CB-CD1 3.41Å; T231-L249 HydrophobicContact CG2-CD2 4.22Å; I245-L249 HydrophobicContact CG2-CB 3.58Å; S246-L249 PolarHBondContact O-N 3.04Å; P247-L249 PolarHBondContact O-N 3.06Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 2.62Å; L249-K252 HydrophobicContact CD2-CD 4.28Å; L249-K252 PolarHBondContact O-N 3.3Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.25Å
250L97.8Very high97.6Very high0 Ų041.9 Ų41.90%025%0.252CS..Hα-helixtrans-58.7-44.4171.7-71.1172.1000111.2L4 V13 F26 I245 S246 P247 L253 A254L4-L250 HydrophobicContact CD1-CD2 3.74Å; L4-L250 HydrophobicContact CD2-CD2 4.46Å; V13-L250 HydrophobicContact CG1-CD2 3.68Å; F26-L250 HydrophobicContact CB-CD1 3.96Å; F26-L250 HydrophobicContact CD1-CB 3.78Å; F26-L250 HydrophobicContact CD2-CB 4Å; F26-L250 HydrophobicContact CD2-CD1 3.72Å; F26-L250 HydrophobicContact CE1-CB 3.8Å; F26-L250 HydrophobicContact CE2-CB 4.02Å; F26-L250 HydrophobicContact CE2-CD1 4.38Å; F26-L250 HydrophobicContact CG-CB 3.88Å; F26-L250 HydrophobicContact CG-CD1 3.8Å; F26-L250 HydrophobicContact CG-CG 4.41Å; F26-L250 HydrophobicContact CZ-CB 3.93Å; I245-L250 HydrophobicContact CB-CD2 3.83Å; I245-L250 HydrophobicContact CB-CG 3.97Å; I245-L250 HydrophobicContact CD1-CD2 4.05Å; I245-L250 HydrophobicContact CG2-CD2 3.9Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; S246-L250 PolarHBondContact O-N 3.42Å; P247-L250 WeakPolarHBondContact O-CB 3.44Å; P247-L250 PolarHBondContact O-N 3.5Å; L250-L253 PolarHBondContact O-N 3.02Å; L250-A254 WeakPolarHBondContact O-CB 3.46Å; L250-A254 PolarHBondContact O-N 2.91Å
251E97.4Very high97.4Very high103 Ų10348.7 Ų48.748%0.48128%0.281SS..Hα-helixtrans-61.6-45.8175.8-173.9174.1-155.600112F26 P247 L249 L253 A254 N255F26-E251 HydrophobicContact CE1-CB 4.41Å; F26-E251 HydrophobicContact CZ-CB 4.01Å; P247-E251 PolarHBondContact O-N 2.93Å; L249-E251 VanDerWaalsContact C-N 3.31Å; L249-E251 PolarHBondContact O-N 2.62Å; E251-L253 VanDerWaalsContact C-N 3.32Å; E251-L253 PolarHBondContact O-N 3.02Å; E251-A254 PolarHBondContact O-N 3.44Å; E251-N255 PolarHBondContact O-N 3.42Å; E251-N255 PolarHBondContact O-ND2 3.01Å
252K98.2Very high97.4Very high126 Ų12650.1 Ų50.155%0.54829%0.287SS..Hα-helixtrans-59.2-42.5175.6-73.5177.1-173-177.60111.9T231 A248 L249 N255 D256T231-K252 HydrophobicContact CG2-CB 3.69Å; T231-K252 HydrophobicContact CG2-CD 4.43Å; A248-K252 WeakPolarHBondContact O-CG 3.39Å; A248-K252 PolarHBondContact O-N 3.35Å; L249-K252 HydrophobicContact CD2-CD 4.28Å; L249-K252 PolarHBondContact O-N 3.3Å; K252-N255 PolarHBondContact O-N 2.97Å; K252-D256 WeakPolarHBondContact O-CB 3.37Å; K252-D256 PolarHBondContact O-N 3.4Å; K252-D256 VanDerWaalsContact O-N 3.12Å
253L97.8Very high97.3Very high2 Ų251.8 Ų51.81%0.0129%0.294CS..Hα-helixtrans-68.3-34177.2-68.6163.5000112.5A3 L4 T231 V234 K235 I245 L249 L250 E251 N255 D256A3-L253 HydrophobicContact CB-CD2 4.24Å; A3-L253 PolarHBondContact N-O 3.41Å; L4-L253 HydrophobicContact CB-CB 3.89Å; L4-L253 PolarHBondContact N-O 3.45Å; L4-L253 VanDerWaalsContact N-O 3.15Å; T231-L253 HydrophobicContact CG2-CD2 3.9Å; T231-L253 HydrophobicContact CG2-CG 3.89Å; V234-L253 HydrophobicContact CB-CD1 4.26Å; V234-L253 HydrophobicContact CG1-CD1 3.78Å; V234-L253 HydrophobicContact CG2-CD1 4.45Å; K235-L253 HydrophobicContact CG-CD2 4.3Å; I245-L253 HydrophobicContact CD1-CD1 4.33Å; I245-L253 HydrophobicContact CG2-CD1 4.46Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.25Å; L250-L253 PolarHBondContact O-N 3.02Å; E251-L253 VanDerWaalsContact C-N 3.32Å; E251-L253 PolarHBondContact O-N 3.02Å; L253-N255 VanDerWaalsContact C-N 3.27Å; L253-N255 PolarHBondContact O-N 3.38Å; L253-D256 PolarHBondContact O-N 3.23Å
254A96.7Very high97.3Very high28 Ų2851.9 Ų51.923%0.23130%0.295CS..Hα-helixtrans-67.7-29.2175.200000112.4N2 L4 L250 E251N2-A254 VanDerWaalsContact CB-O 3.22Å; N2-A254 WeakPolarHBondContact CB-O 3.19Å; N2-A254 VanDerWaalsContact CG-O 3.25Å; N2-A254 PolarHBondContact ND2-O 3.16Å; L4-A254 HydrophobicContact CB-CB 4.47Å; L4-A254 HydrophobicContact CD2-CB 4.07Å; L250-A254 WeakPolarHBondContact O-CB 3.46Å; L250-A254 PolarHBondContact O-N 2.91Å; E251-A254 PolarHBondContact O-N 3.44Å
255N97.8Very high97.2Very high123 Ų12352.6 Ų52.666%0.65830%0.3SS*.THydrogen-bonded Turntrans-92.4-1.6177.2-67.8-36000113.6E251 K252 L253E251-N255 PolarHBondContact O-N 3.42Å; E251-N255 PolarHBondContact O-ND2 3.01Å; K252-N255 PolarHBondContact O-N 2.97Å; L253-N255 VanDerWaalsContact C-N 3.27Å; L253-N255 PolarHBondContact O-N 3.38Å
256D98Very high97Very high35 Ų3556.6 Ų56.619%0.18732%0.324CS..  trans-94.7118.8-178.6-171.8-21.9000110.8N2 A3 K235 K252 L253 S258N2-D256 CarbonylContact C-O 3.51Å; N2-D256 WeakPolarHBondContact CA-O 3.23Å; N2-D256 WeakPolarHBondContact CB-O 3.46Å; A3-D256 HydrophobicContact CB-CB 3.9Å; A3-D256 PolarHBondContact N-O 3.31Å; K235-D256 WeakPolarHBondContact CE-OD2 3.24Å; K235-D256 IonicContact NZ-OD1 2.66Å; K235-D256 IonicContact NZ-OD2 3.92Å; K235-D256 PolarHBondContact NZ-OD2 2.94Å; K252-D256 WeakPolarHBondContact O-CB 3.37Å; K252-D256 PolarHBondContact O-N 3.4Å; K252-D256 VanDerWaalsContact O-N 3.12Å; L253-D256 PolarHBondContact O-N 3.23Å; D256-S258 VanDerWaalsContact CG-OG 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 3.04Å; D256-S258 PolarHBondContact OD1-OG 3.47Å; D256-S258 PolarHBondContact OD2-OG 2.92Å
257S97.4Very high96.7Very high108 Ų10861 Ų6176%0.75535%0.345SS*.  trans-94.84.7-179.7-600000113.8
258S96.2Very high96.4Very high45 Ų4563.4 Ų63.432%0.31535%0.352SS..SBendtrans-66.3148.8177.761.50000111.9Q6 K235 D256Q6-S258 PolarHBondContact NE2-O 3.42Å; K235-S258 PolarHBondContact NZ-OG 3.21Å; D256-S258 VanDerWaalsContact CG-OG 3.26Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 3.04Å; D256-S258 PolarHBondContact OD1-OG 3.47Å; D256-S258 PolarHBondContact OD2-OG 2.92Å
259S95.6Very high96Very high109 Ų10960.7 Ų60.776%0.76233%0.329SS*.PPolyproline II helixtrans-69.9133.9173.557.50000110.6
260L96.2Very high95.3Very high20 Ų2065.9 Ų65.911%0.10536%0.357CS..PPolyproline II helixtrans-97134.2177.3-165.464.7000110.7Q6 L7 K235 C238Q6-L260 HydrophobicContact CB-CB 3.88Å; Q6-L260 HydrophobicContact CB-CD2 4.22Å; L7-L260 HydrophobicContact CB-CD2 3.72Å; L7-L260 HydrophobicContact CD1-CD2 4.01Å; L7-L260 HydrophobicContact CG-CD2 4.5Å; K235-L260 HydrophobicContact CB-CD1 3.6Å; K235-L260 HydrophobicContact CD-CD1 4.14Å; K235-L260 HydrophobicContact CG-CD1 3.5Å; C238-L260 HydrophobicContact CB-CD1 4.32Å; C238-L260 HydrophobicContact CB-CD2 3.96Å; C238-L260 HydrophobicContact CB-CG 4.02Å; C238-L260 WeakPolarHBondContact SG-CD2 3.29Å
261K96Very high94.7Very high144 Ų14471.4 Ų71.463%0.62639%0.391SS*.PPolyproline II helixtrans-102.5131.5174.2-178.9175.7178.8177.60109.4C238 H263C238-K261 WeakPolarHBondContact CB-O 3.43Å; K261-H263 PolarHBondContact O-CD2 3.34Å; K261-H263 PolarHBondContact O-N 3.1Å
262Q97.5Very high94.3Very high68 Ų6867.2 Ų67.232%0.31837%0.373SS..PPolyproline II helixtrans-68.8118.1169.2-172.3-177.817.500109.6Y10 L264 K268Y10-Q262 HydrophobicContact CD1-CB 4.07Å; Y10-Q262 HydrophobicContact CD1-CG 4Å; Y10-Q262 HydrophobicContact CE1-CB 4.18Å; Y10-Q262 HydrophobicContact CG-CB 4.31Å; Y10-Q262 HydrophobicContact CG-CG 4.27Å; Q262-L264 VanDerWaalsContact CG-O 3.31Å; Q262-L264 WeakPolarHBondContact CG-O 3.36Å; Q262-L264 PolarHBondContact NE2-O 3.07Å; Q262-L264 VanDerWaalsContact NE2-O 3.15Å; Q262-K268 PolarHBondContact O-NZ 2.92Å
263H97Very high94Very high38 Ų3867.5 Ų67.518%0.17639%0.385CS..  trans-96.9-37.2-179.3-76-77000112.3K235 G236 C238 K261 K268K235-H263 PolarHBondContact O-CD2 2.94Å; G236-H263 WeakPolarHBondContact O-CB 3.48Å; C238-H263 PolarHBondContact O-N 3.43Å; K261-H263 PolarHBondContact O-CD2 3.34Å; K261-H263 PolarHBondContact O-N 3.1Å; H263-K268 WeakPolarHBondContact O-CD 3.35Å; H263-K268 PolarHBondContact O-NZ 3.39Å
264L97.9Very high93.8Very high2 Ų270 Ų701%0.0140%0.398CS..  trans-106.9135.2-179.2-66.276.2000110.5Y211 L237 C238 G239 C240 Q262Y211-L264 HydrophobicContact CD1-CB 4.06Å; Y211-L264 HydrophobicContact CD1-CD2 3.85Å; Y211-L264 HydrophobicContact CD1-CG 4.31Å; Y211-L264 HydrophobicContact CD2-CD2 4.04Å; Y211-L264 HydrophobicContact CE1-CB 3.88Å; Y211-L264 HydrophobicContact CE1-CD2 4.47Å; Y211-L264 HydrophobicContact CG-CB 4.49Å; Y211-L264 HydrophobicContact CG-CD2 3.62Å; L237-L264 HydrophobicContact CD2-CD1 4.08Å; L237-L264 HydrophobicContact CD2-CD2 4.33Å; C238-L264 PolarHBondContact O-N 3.14Å; G239-L264 VanDerWaalsContact CA-O 3.31Å; G239-L264 WeakPolarHBondContact CA-O 3.48Å; C240-L264 HydrophobicContact CB-CD2 4.17Å; Q262-L264 VanDerWaalsContact CG-O 3.31Å; Q262-L264 WeakPolarHBondContact CG-O 3.36Å; Q262-L264 PolarHBondContact NE2-O 3.07Å; Q262-L264 VanDerWaalsContact NE2-O 3.15Å
265S96.8Very high93.7Very high19 Ų1972.7 Ų72.713%0.13341%0.414CS..  trans-159.1162.7173.264.80000109.6D267 K268 A269S265-D267 PolarHBondContact O-N 2.85Å; S265-K268 PolarHBondContact O-N 3.26Å; S265-K268 WeakPolarHBondContact OG-CG 3.4Å; S265-K268 PolarHBondContact OG-N 3.34Å; S265-A269 PolarHBondContact O-N 3.03Å; S265-A269 VanDerWaalsContact O-N 3.14Å
266V93.7Very high93.7Very high83 Ų8373.5 Ų73.550%0.50341%0.412SS..Hα-helixtrans-58-48.2176.3179.50000110.7K268 A269 D270V266-K268 PolarHBondContact O-N 3.43Å; V266-A269 WeakPolarHBondContact O-CB 3.37Å; V266-A269 PolarHBondContact O-N 2.83Å; V266-D270 PolarHBondContact O-N 2.79Å
267D92.2Very high93.6Very high131 Ų13174.4 Ų74.470%0.70142%0.415SS*.Hα-helixtrans-58.3-33.5179.7-55.1-15.4000113.5S265S265-D267 PolarHBondContact O-N 2.85Å
268K89Confident93.5Very high83 Ų8375.1 Ų75.136%0.36142%0.415SS..Hα-helixtrans-78.6-23.9176.9-72.6175.7180175.50112.7Q262 H263 S265 V266 D270 T271Q262-K268 PolarHBondContact O-NZ 2.92Å; H263-K268 WeakPolarHBondContact O-CD 3.35Å; H263-K268 PolarHBondContact O-NZ 3.39Å; S265-K268 PolarHBondContact O-N 3.26Å; S265-K268 WeakPolarHBondContact OG-CG 3.4Å; S265-K268 PolarHBondContact OG-N 3.34Å; V266-K268 PolarHBondContact O-N 3.43Å; K268-D270 PolarHBondContact O-N 3.12Å; K268-T271 PolarHBondContact O-N 3.07Å; K268-T271 PolarHBondContact O-OG1 2.91Å
269A87.8Confident93.6Very high0 Ų073.5 Ų73.50%040%0.403CS..Hα-helixtrans-72.4-21.1177.800000112.5N212 K215 S265 V266 T271 C272N212-A269 HydrophobicContact CB-CB 4.24Å; K215-A269 HydrophobicContact CB-CB 3.47Å; K215-A269 VanDerWaalsContact CB-CB 3.47Å; K215-A269 HydrophobicContact CG-CB 4.1Å; S265-A269 PolarHBondContact O-N 3.03Å; S265-A269 VanDerWaalsContact O-N 3.14Å; V266-A269 WeakPolarHBondContact O-CB 3.37Å; V266-A269 PolarHBondContact O-N 2.83Å; A269-T271 PolarHBondContact O-N 2.66Å; A269-C272 WeakPolarHBondContact O-CB 3.3Å; A269-C272 PolarHBondContact O-N 3.05Å
270D83.7Confident93.7Very high117 Ų11771.4 Ų71.463%0.62638%0.383SS*.THydrogen-bonded Turntrans-61.9-23.1175.4-73.5-13.1000112.8V266 K268 C272V266-D270 PolarHBondContact O-N 2.79Å; K268-D270 PolarHBondContact O-N 3.12Å; D270-C272 PolarHBondContact O-N 3.07Å
271T85.9Confident93.8Very high115 Ų11574.5 Ų74.571%0.70640%0.396SS*.THydrogen-bonded Turntrans-80.4-0.7174.966.40000113.3K268 A269 T273K268-T271 PolarHBondContact O-N 3.07Å; K268-T271 PolarHBondContact O-OG1 2.91Å; A269-T271 PolarHBondContact O-N 2.66Å; T271-T273 PolarHBondContact O-N 3.12Å
272C87.9Confident94Very high16 Ų1675.2 Ų75.211%0.10840%0.4CS..  trans-64.9123.9179.2178.30000110.9N212 K216 A269 D270N212-C272 HydrophobicContact CB-CB 4.03Å; K216-C272 HydrophobicContact CB-CB 4.35Å; K216-C272 HydrophobicContact CD-CB 3.87Å; K216-C272 VanDerWaalsContact CD-O 3.31Å; K216-C272 WeakPolarHBondContact CD-O 3.31Å; K216-C272 VanDerWaalsContact CE-O 3.29Å; K216-C272 WeakPolarHBondContact CE-O 3.45Å; K216-C272 PolarHBondContact NZ-O 2.7Å; A269-C272 WeakPolarHBondContact O-CB 3.3Å; A269-C272 PolarHBondContact O-N 3.05Å; D270-C272 PolarHBondContact O-N 3.07Å
273T92.9Very high94Very high131 Ų13174.2 Ų74.280%0.80440%0.398SS*.  trans-96.6-6.5-178.154.60000113.7T271T271-T273 PolarHBondContact O-N 3.12Å
274L94.2Very high94.1Very high54 Ų5472.9 Ų72.928%0.28339%0.392SS..PPolyproline II helixtrans-57.2132.9-179.4-64170.5000110.7L162 Y213 K216 Y217L162-L274 HydrophobicContact CD2-CD1 3.72Å; L162-L274 HydrophobicContact CD2-CD2 4.28Å; Y213-L274 HydrophobicContact CD2-CB 3.97Å; Y213-L274 HydrophobicContact CD2-CD1 4.23Å; Y213-L274 HydrophobicContact CE2-CB 4.48Å; K216-L274 PolarHBondContact NZ-O 3.28Å; Y217-L274 PolarHBondContact OH-O 2.91Å
275P94.8Very high94.1Very high85 Ų8578 Ų7855%0.55241%0.411SS*.PPolyproline II helixtrans-74.4155.8179.631.3-35.5000111.4Y213 Y217 M277Y213-P275 WeakPolarHBondContact CE2-O 3.19Å; Y217-P275 VanDerWaalsContact OH-C 3.27Å; P275-M277 PolarHBondContact O-N 3.46Å
276K96.2Very high94.2Very high141 Ų14184.6 Ų84.661%0.61343%0.433SS*.PPolyproline II helixtrans-71.8122.4175.2-164.8173.6-177.4175.80108.3Y217Y217-K276 HydrophobicContact CD1-CB 4.2Å; Y217-K276 HydrophobicContact CD1-CD 3.92Å; Y217-K276 HydrophobicContact CD1-CG 4.05Å; Y217-K276 HydrophobicContact CE1-CB 3.6Å; Y217-K276 HydrophobicContact CE1-CD 4.08Å; Y217-K276 HydrophobicContact CE1-CG 3.99Å; Y217-K276 HydrophobicContact CE2-CB 4.18Å; Y217-K276 HydrophobicContact CG-CG 4.37Å; Y217-K276 PolarHBondContact OH-N 2.92Å
277M96.2Very high94.4Very high53 Ų5384.5 Ų84.526%0.26143%0.427SS..  trans-106.1154.4179.1-61-168.6-69.400110.8L162 I163 I166 Q170 Y213 P275 I279L162-M277 HydrophobicContact CD2-CE 4.48Å; I163-M277 HydrophobicContact CD1-CE 3.7Å; I163-M277 HydrophobicContact CD1-SD 4.4Å; I166-M277 HydrophobicContact CD1-CE 3.09Å; Q170-M277 PolarHBondContact NE2-O 3.2Å; Y213-M277 PolarHBondContact OH-N 3.07Å; P275-M277 PolarHBondContact O-N 3.46Å; M277-I279 HydrophobicContact CB-CD1 3.93Å
278V95.9Very high94.7Very high123 Ų12378.8 Ų78.875%0.74540%0.397SS*.  trans-114.8121.9166.9176.90000106
279I98Very high95.2Very high12 Ų1279.8 Ų79.86%0.06241%0.406CS..  trans-108.298-174.1-52.9-60000108.6I163 I166 A167 M277 T283 F284I163-I279 HydrophobicContact CD1-CD1 4.37Å; I163-I279 HydrophobicContact CG2-CD1 4.44Å; I163-I279 HydrophobicContact CG2-CG2 4.33Å; I166-I279 HydrophobicContact CB-CG1 4.21Å; I166-I279 HydrophobicContact CG2-CD1 4.48Å; I166-I279 HydrophobicContact CG2-CG1 3.65Å; A167-I279 HydrophobicContact CB-CB 4.25Å; A167-I279 HydrophobicContact CB-CG2 3.91Å; M277-I279 HydrophobicContact CB-CD1 3.93Å; I279-T283 HydrophobicContact CD1-CG2 3.97Å; I279-F284 HydrophobicContact CG2-CB 3.68Å; I279-F284 HydrophobicContact CG2-CD2 4.03Å; I279-F284 HydrophobicContact CG2-CG 4.38Å
280D98.4Very high95.7Very high65 Ų6586 Ų8635%0.34844%0.435SS..  trans-86176.4165.276.1-8.2000110.7K282 T283 F284D280-K282 VanDerWaalsContact C-N 3.3Å; D280-K282 PolarHBondContact O-N 2.81Å; D280-K282 PolarHBondContact OD1-N 3.34Å; D280-K282 WeakPolarHBondContact OD2-CE 3.3Å; D280-T283 PolarHBondContact O-N 3.37Å; D280-T283 WeakPolarHBondContact OD1-CB 3.41Å; D280-T283 PolarHBondContact OD1-N 3.34Å; D280-T283 PolarHBondContact OD1-OG1 2.98Å; D280-F284 WeakPolarHBondContact O-CB 3.48Å; D280-F284 PolarHBondContact O-N 2.85Å
281E98.7Very high96.4Very high84 Ų8482.8 Ų82.839%0.39342%0.418SS..Hα-helixtrans-59.1-42.8-177.4-176.1165.9172.900112.5W137 F284 R285W137-E281 HydrophobicContact CD2-CB 4.11Å; W137-E281 HydrophobicContact CD2-CG 4.02Å; W137-E281 VanDerWaalsContact CE2-CB 3.45Å; W137-E281 HydrophobicContact CG-CG 4.11Å; W137-E281 HydrophobicContact CH2-CB 4.06Å; W137-E281 HydrophobicContact CZ2-CB 3.45Å; W137-E281 VanDerWaalsContact CZ2-CB 3.45Å; W137-E281 HydrophobicContact CZ2-CG 4.18Å; W137-E281 PolarHBondContact NE1-OE2 3.33Å; W137-E281 VanDerWaalsContact NE1-OE2 3.09Å; E281-F284 PolarHBondContact O-N 3.07Å; E281-R285 HydrophobicContact CG-CG 4.34Å; E281-R285 WeakPolarHBondContact O-CB 3.49Å; E281-R285 VanDerWaalsContact O-CG 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.27Å; E281-R285 PolarHBondContact O-N 2.92Å; E281-R285 IonicContact OE1-CZ 2.73Å; E281-R285 IonicContact OE1-NE 3.03Å; E281-R285 PolarHBondContact OE1-NE 3.49Å; E281-R285 IonicContact OE1-NH2 3.99Å; E281-R285 PolarHBondContact OE1-NH2 2.63Å
282K98.5Very high97Very high159 Ų15983.1 Ų83.169%0.69141%0.411SS*.Hα-helixtrans-64-47.2-178.2-67178.9-67.8175.30110.4D280 R285 W286D280-K282 VanDerWaalsContact C-N 3.3Å; D280-K282 PolarHBondContact O-N 2.81Å; D280-K282 PolarHBondContact OD1-N 3.34Å; D280-K282 WeakPolarHBondContact OD2-CE 3.3Å; K282-R285 PolarHBondContact O-N 2.95Å; K282-W286 VanDerWaalsContact O-CB 3.29Å; K282-W286 WeakPolarHBondContact O-CB 3.46Å; K282-W286 PolarHBondContact O-N 3.06Å
283T98.5Very high97.5Very high48 Ų4883 Ų8329%0.29441%0.409SS..Hα-helixtrans-63-46.5177.6-52.80000110.3I279 D280 R285 W286 E287I279-T283 HydrophobicContact CD1-CG2 3.97Å; D280-T283 PolarHBondContact O-N 3.37Å; D280-T283 WeakPolarHBondContact OD1-CB 3.41Å; D280-T283 PolarHBondContact OD1-N 3.34Å; D280-T283 PolarHBondContact OD1-OG1 2.98Å; T283-R285 PolarHBondContact O-N 3Å; T283-W286 PolarHBondContact O-N 2.87Å; T283-E287 HydrophobicContact CG2-CG 4.01Å; T283-E287 WeakPolarHBondContact O-CB 3.45Å; T283-E287 VanDerWaalsContact O-CG 3.23Å; T283-E287 WeakPolarHBondContact O-CG 3.21Å; T283-E287 PolarHBondContact O-N 3.35Å
284F98.8Very high97.8Very high9 Ų976.7 Ų76.74%0.03937%0.371CS..Hα-helixtrans-56.8-51177.7-177.7-91.1000111.8W137 I140 I163 Q164 A167 I279 D280 E281 M288W137-F284 HydrophobicContact CB-CD1 3.85Å; W137-F284 HydrophobicContact CB-CE1 3.88Å; W137-F284 HydrophobicContact CE3-CB 3.65Å; W137-F284 AromaticContact CE3-CD1 3.97Å; W137-F284 HydrophobicContact CE3-CD1 3.97Å; W137-F284 HydrophobicContact CE3-CD2 4.14Å; W137-F284 AromaticContact CE3-CG 3.65Å; W137-F284 HydrophobicContact CE3-CG 3.65Å; W137-F284 HydrophobicContact CZ3-CB 3.9Å; W137-F284 HydrophobicContact CZ3-CG 4.27Å; I140-F284 HydrophobicContact CD1-CD2 4.43Å; I140-F284 HydrophobicContact CD1-CE2 3.59Å; I140-F284 HydrophobicContact CD1-CZ 3.94Å; I163-F284 HydrophobicContact CG2-CD2 4.06Å; Q164-F284 HydrophobicContact CG-CE2 4.02Å; Q164-F284 HydrophobicContact CG-CZ 4.04Å; A167-F284 HydrophobicContact CB-CD2 3.83Å; A167-F284 HydrophobicContact CB-CE2 4.05Å; I279-F284 HydrophobicContact CG2-CB 3.68Å; I279-F284 HydrophobicContact CG2-CD2 4.03Å; I279-F284 HydrophobicContact CG2-CG 4.38Å; D280-F284 WeakPolarHBondContact O-CB 3.48Å; D280-F284 PolarHBondContact O-N 2.85Å; E281-F284 PolarHBondContact O-N 3.07Å; F284-M288 HydrophobicContact CD1-CG 4.21Å; F284-M288 HydrophobicContact CE1-CG 3.86Å; F284-M288 HydrophobicContact CE2-CG 4.29Å; F284-M288 HydrophobicContact CZ-CG 3.91Å; F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.25Å; F284-M288 VanDerWaalsContact O-CG 3.25Å; F284-M288 WeakPolarHBondContact O-CG 3.43Å; F284-M288 PolarHBondContact O-N 2.95Å
285R98.6Very high98Very high110 Ų11076.6 Ų76.642%0.41537%0.372SS..Hα-helixtrans-65.4-40.2-178.2-70.8-177.8-174.1-70.6-1.5111.6E138 E281 K282 T283 N289E138-R285 IonicContact OE1-CZ 3.03Å; E138-R285 IonicContact OE1-NH1 2.9Å; E138-R285 IonicContact OE1-NH2 2.85Å; E138-R285 PolarHBondContact OE1-NH2 3.41Å; E281-R285 HydrophobicContact CG-CG 4.34Å; E281-R285 WeakPolarHBondContact O-CB 3.49Å; E281-R285 VanDerWaalsContact O-CG 3.3Å; E281-R285 WeakPolarHBondContact O-CG 3.27Å; E281-R285 PolarHBondContact O-N 2.92Å; E281-R285 IonicContact OE1-CZ 2.73Å; E281-R285 IonicContact OE1-NE 3.03Å; E281-R285 PolarHBondContact OE1-NE 3.49Å; E281-R285 IonicContact OE1-NH2 3.99Å; E281-R285 PolarHBondContact OE1-NH2 2.63Å; K282-R285 PolarHBondContact O-N 2.95Å; T283-R285 PolarHBondContact O-N 3Å; R285-N289 VanDerWaalsContact O-CB 3.26Å; R285-N289 WeakPolarHBondContact O-CB 3.43Å; R285-N289 PolarHBondContact O-N 2.87Å; R285-N289 VanDerWaalsContact O-N 3.07Å
286W98.5Very high98.1Very high158 Ų15875.5 Ų75.560%0.59836%0.362SS*.Hα-helixtrans-65.5-53.2178.4-173.4-95.1000112K282 T283 M288 N289 E290K282-W286 VanDerWaalsContact O-CB 3.29Å; K282-W286 WeakPolarHBondContact O-CB 3.46Å; K282-W286 PolarHBondContact O-N 3.06Å; T283-W286 PolarHBondContact O-N 2.87Å; W286-M288 VanDerWaalsContact C-N 3.34Å; W286-M288 PolarHBondContact O-N 3.09Å; W286-N289 WeakPolarHBondContact O-CB 3.36Å; W286-N289 PolarHBondContact O-N 3.11Å; W286-E290 PolarHBondContact O-N 2.87Å
287E98.5Very high98.3Very high80 Ų8069.7 Ų69.737%0.37434%0.337SS..Hα-helixtrans-66.9-34.9-177.1-64.5-69.5146.600112.3I163 T283 N289 E290 D291I163-E287 HydrophobicContact CB-CB 4.38Å; I163-E287 HydrophobicContact CD1-CB 4.01Å; I163-E287 HydrophobicContact CD1-CG 4.09Å; I163-E287 HydrophobicContact CG1-CB 3.77Å; I163-E287 HydrophobicContact CG1-CG 4.41Å; I163-E287 HydrophobicContact CG2-CB 3.98Å; T283-E287 HydrophobicContact CG2-CG 4.01Å; T283-E287 WeakPolarHBondContact O-CB 3.45Å; T283-E287 VanDerWaalsContact O-CG 3.23Å; T283-E287 WeakPolarHBondContact O-CG 3.21Å; T283-E287 PolarHBondContact O-N 3.35Å; E287-N289 VanDerWaalsContact C-N 3.34Å; E287-E290 PolarHBondContact O-N 3.12Å; E287-D291 PolarHBondContact O-N 3.1Å; E287-D291 VanDerWaalsContact O-N 3.17Å
288M98.6Very high98.4Very high11 Ų1168 Ų685%0.05433%0.329CS..Hα-helixtrans-63.1-41.7170.2-78-64.2-63.400111.7S161 Q164 F284 W286 E290 D291 A294 T295 L298S161-M288 PolarHBondContact OG-SD 2.95Å; Q164-M288 HydrophobicContact CG-CE 4.16Å; Q164-M288 HydrophobicContact CG-SD 3.56Å; Q164-M288 VanDerWaalsContact CG-SD 3.56Å; F284-M288 HydrophobicContact CD1-CG 4.21Å; F284-M288 HydrophobicContact CE1-CG 3.86Å; F284-M288 HydrophobicContact CE2-CG 4.29Å; F284-M288 HydrophobicContact CZ-CG 3.91Å; F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.25Å; F284-M288 VanDerWaalsContact O-CG 3.25Å; F284-M288 WeakPolarHBondContact O-CG 3.43Å; F284-M288 PolarHBondContact O-N 2.95Å; W286-M288 VanDerWaalsContact C-N 3.34Å; W286-M288 PolarHBondContact O-N 3.09Å; M288-E290 VanDerWaalsContact C-N 3.33Å; M288-E290 PolarHBondContact O-N 3.36Å; M288-D291 CarbonylContact O-C 3.55Å; M288-D291 PolarHBondContact O-N 2.91Å; M288-A294 HydrophobicContact CE-CB 3.84Å; M288-A294 HydrophobicContact SD-CB 4.17Å; M288-T295 PolarHBondContact O-OG1 3.17Å; M288-L298 HydrophobicContact CE-CD2 3.9Å
289N98.2Very high98.5Very high104 Ų10463.7 Ų63.756%0.55631%0.306SS*.Hα-helixtrans-65.5-34.9178.5-174.682.4000112.6R285 W286 E287 D291R285-N289 VanDerWaalsContact O-CB 3.26Å; R285-N289 WeakPolarHBondContact O-CB 3.43Å; R285-N289 PolarHBondContact O-N 2.87Å; R285-N289 VanDerWaalsContact O-N 3.07Å; W286-N289 WeakPolarHBondContact O-CB 3.36Å; W286-N289 PolarHBondContact O-N 3.11Å; E287-N289 VanDerWaalsContact C-N 3.34Å; N289-D291 VanDerWaalsContact C-N 3.32Å
290E98.4Very high98.5Very high130 Ų13064.5 Ų64.561%0.60731%0.311SS*.Hα-helixtrans-70.9-25.5173.7-69.6-66.3103.800112.9W286 E287 M288 Q292W286-E290 PolarHBondContact O-N 2.87Å; E287-E290 PolarHBondContact O-N 3.12Å; M288-E290 VanDerWaalsContact C-N 3.33Å; M288-E290 PolarHBondContact O-N 3.36Å; E290-Q292 PolarHBondContact O-N 3.38Å
291D98.4Very high98.5Very high51 Ų5161.4 Ų61.427%0.27329%0.294SS..  trans-90.484.6171.9-170.3-20.8000110.8S161 E287 M288 N289 M293 A294 T295S161-D291 WeakPolarHBondContact CB-OD2 3.39Å; E287-D291 PolarHBondContact O-N 3.1Å; E287-D291 VanDerWaalsContact O-N 3.17Å; M288-D291 CarbonylContact O-C 3.55Å; M288-D291 PolarHBondContact O-N 2.91Å; N289-D291 VanDerWaalsContact C-N 3.32Å; D291-M293 PolarHBondContact O-N 3.22Å; D291-M293 PolarHBondContact OD1-N 3.12Å; D291-A294 HydrophobicContact CB-CB 3.93Å; D291-A294 PolarHBondContact O-N 3.27Å; D291-A294 VanDerWaalsContact O-N 3.17Å; D291-A294 PolarHBondContact OD1-N 2.89Å; D291-A294 WeakPolarHBondContact OD2-CB 3.46Å; D291-T295 PolarHBondContact O-N 2.94Å; D291-T295 PolarHBondContact O-OG1 3.44Å
292Q98.4Very high98.5Very high121 Ų12158.1 Ų58.157%0.56528%0.279SS*.Hα-helixtrans-52.7-41.5179.4-174.4-179.50.700112.3W186 E290 T295 D296W186-Q292 HydrophobicContact CZ2-CB 4.32Å; W186-Q292 HydrophobicContact CZ2-CG 4.01Å; E290-Q292 PolarHBondContact O-N 3.38Å; Q292-T295 PolarHBondContact O-N 2.82Å; Q292-D296 WeakPolarHBondContact O-CB 3.29Å; Q292-D296 VanDerWaalsContact O-CG 3.24Å; Q292-D296 PolarHBondContact O-N 2.92Å
293M98.5Very high98.5Very high13 Ų1357.6 Ų57.66%0.06427%0.273CS..Hα-helixtrans-62.6-48.4-179.7178.5-81.6-54.500111.5F160 I183 W186 D291 D296 K297F160-M293 HydrophobicContact CB-SD 4.16Å; F160-M293 WeakPolarHBondContact O-CE 3.43Å; I183-M293 HydrophobicContact CB-SD 4.21Å; I183-M293 HydrophobicContact CG1-CE 4.17Å; I183-M293 HydrophobicContact CG1-SD 3.85Å; I183-M293 HydrophobicContact CG2-CE 3.96Å; I183-M293 HydrophobicContact CG2-SD 4.03Å; W186-M293 HydrophobicContact CB-CG 3.63Å; W186-M293 HydrophobicContact CD2-CB 3.53Å; W186-M293 HydrophobicContact CD2-CG 3.41Å; W186-M293 VanDerWaalsContact CD2-CG 3.41Å; W186-M293 HydrophobicContact CE3-CB 3.58Å; W186-M293 HydrophobicContact CE3-CG 3.54Å; W186-M293 HydrophobicContact CG-CB 4.04Å; W186-M293 HydrophobicContact CG-CG 3.46Å; W186-M293 VanDerWaalsContact CG-CG 3.46Å; W186-M293 HydrophobicContact CH2-CB 4.12Å; W186-M293 HydrophobicContact CZ2-CB 4.07Å; W186-M293 HydrophobicContact CZ3-CB 3.89Å; W186-M293 HydrophobicContact CZ3-CG 4.32Å; D291-M293 PolarHBondContact O-N 3.22Å; D291-M293 PolarHBondContact OD1-N 3.12Å; M293-D296 PolarHBondContact O-N 3.44Å; M293-K297 WeakPolarHBondContact O-CB 3.46Å; M293-K297 PolarHBondContact O-N 2.91Å; M293-K297 HydrophobicContact SD-CG 4.43Å
294A98.8Very high98.5Very high0 Ų061.7 Ų61.70%028%0.283CS..Hα-helixtrans-65.3-41.3179.800000111.7F160 M288 D291 L298F160-A294 HydrophobicContact CB-CB 3.92Å; M288-A294 HydrophobicContact CE-CB 3.84Å; M288-A294 HydrophobicContact SD-CB 4.17Å; D291-A294 HydrophobicContact CB-CB 3.93Å; D291-A294 PolarHBondContact O-N 3.27Å; D291-A294 VanDerWaalsContact O-N 3.17Å; D291-A294 PolarHBondContact OD1-N 2.89Å; D291-A294 WeakPolarHBondContact OD2-CB 3.46Å; A294-L298 WeakPolarHBondContact O-CB 3.38Å; A294-L298 PolarHBondContact O-N 3.31Å
295T98.6Very high98.5Very high51 Ų5161.4 Ų61.431%0.31328%0.281SS..Hα-helixtrans-59.1-51.4174.6-74.40000111.6M288 D291 Q292 A299M288-T295 PolarHBondContact O-OG1 3.17Å; D291-T295 PolarHBondContact O-N 2.94Å; D291-T295 PolarHBondContact O-OG1 3.44Å; Q292-T295 PolarHBondContact O-N 2.82Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 2.97Å; T295-A299 VanDerWaalsContact O-N 3.13Å
296D98.2Very high98.4Very high63 Ų6358.1 Ų58.134%0.33727%0.272SS..Hα-helixtrans-62.6-48.4-178-75.5-16.9000112W186 Q292 M293 A299 D300W186-D296 PolarHBondContact NE1-OD2 3.01Å; W186-D296 VanDerWaalsContact NE1-OD2 3.08Å; Q292-D296 WeakPolarHBondContact O-CB 3.29Å; Q292-D296 VanDerWaalsContact O-CG 3.24Å; Q292-D296 PolarHBondContact O-N 2.92Å; M293-D296 PolarHBondContact O-N 3.44Å; D296-A299 PolarHBondContact O-N 3.35Å; D296-D300 VanDerWaalsContact O-CB 3.28Å; D296-D300 WeakPolarHBondContact O-CB 3.27Å; D296-D300 PolarHBondContact O-N 3.47Å
297K98.7Very high98.4Very high18 Ų1857.4 Ų57.48%0.07827%0.273CS..Hα-helixtrans-74.1-29.7-176.1-69.8-62.4-175.6-171.90112.7F160 R182 W186 E189 M293 G301F160-K297 HydrophobicContact CD1-CB 3.67Å; F160-K297 HydrophobicContact CD2-CB 4.17Å; F160-K297 HydrophobicContact CE1-CB 3.72Å; F160-K297 VanDerWaalsContact CE2-C 3.47Å; F160-K297 HydrophobicContact CE2-CB 4.22Å; F160-K297 WeakPolarHBondContact CE2-O 3.1Å; F160-K297 HydrophobicContact CG-CB 3.91Å; F160-K297 HydrophobicContact CZ-CB 4.01Å; F160-K297 WeakPolarHBondContact CZ-O 3.42Å; R182-K297 VanDerWaalsContact O-CE 3.26Å; R182-K297 WeakPolarHBondContact O-CE 3.29Å; W186-K297 HydrophobicContact CB-CD 4.26Å; W186-K297 HydrophobicContact CB-CG 4.01Å; W186-K297 HydrophobicContact CG-CG 4.26Å; E189-K297 IonicContact OE2-NZ 3.67Å; E189-K297 PolarHBondContact OE2-NZ 3.32Å; M293-K297 WeakPolarHBondContact O-CB 3.46Å; M293-K297 PolarHBondContact O-N 2.91Å; M293-K297 HydrophobicContact SD-CG 4.43Å; K297-G301 PolarHBondContact O-N 3.27Å
298L98.8Very high98.4Very high18 Ų1855.2 Ų55.29%0.09426%0.264CS..Hα-helixtrans-62.3-52.1169.5176.757.8000110.9T136 L158 F160 M288 A294 D300 G301 I302T136-L298 HydrophobicContact CG2-CD1 4.23Å; T136-L298 HydrophobicContact CG2-CD2 4.21Å; L158-L298 HydrophobicContact CB-CD1 3.86Å; F160-L298 HydrophobicContact CD2-CB 4.04Å; F160-L298 VanDerWaalsContact CE2-CA 3.5Å; F160-L298 HydrophobicContact CE2-CB 4.17Å; M288-L298 HydrophobicContact CE-CD2 3.9Å; A294-L298 WeakPolarHBondContact O-CB 3.38Å; A294-L298 PolarHBondContact O-N 3.31Å; L298-D300 PolarHBondContact O-N 3.42Å; L298-G301 PolarHBondContact O-N 2.99Å; L298-I302 HydrophobicContact CD1-CD1 4Å; L298-I302 HydrophobicContact CD1-CG1 4.37Å; L298-I302 HydrophobicContact CG-CD1 4.27Å; L298-I302 WeakPolarHBondContact O-CG1 3.17Å; L298-I302 PolarHBondContact O-N 3.25Å; L298-I302 VanDerWaalsContact O-N 3.09Å
299A98.5Very high98.3Very high33 Ų3354.9 Ų54.927%0.27326%0.263SS..Hα-helixtrans-63.2-42.1179.800000112T295 D296 R303T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 2.97Å; T295-A299 VanDerWaalsContact O-N 3.13Å; D296-A299 PolarHBondContact O-N 3.35Å; A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 3.45Å; A299-R303 VanDerWaalsContact O-N 3.16Å; A299-R303 PolarHBondContact O-NH1 3.45Å
300D98.4Very high98.3Very high29 Ų2956.3 Ų56.316%0.15526%0.26CS..Hα-helixtrans-61.8-42.8174.4179.167.8000112.2D296 L298 R303 R304D296-D300 VanDerWaalsContact O-CB 3.28Å; D296-D300 WeakPolarHBondContact O-CB 3.27Å; D296-D300 PolarHBondContact O-N 3.47Å; L298-D300 PolarHBondContact O-N 3.42Å; D300-R303 VanDerWaalsContact CA-NH2 3.3Å; D300-R303 PolarHBondContact O-N 3.13Å; D300-R304 VanDerWaalsContact CG-NE 3.29Å; D300-R304 WeakPolarHBondContact O-CG 3.48Å; D300-R304 PolarHBondContact O-N 2.94Å; D300-R304 IonicContact OD1-CZ 2.8Å; D300-R304 IonicContact OD1-NE 3.59Å; D300-R304 PolarHBondContact OD1-NE 3.34Å; D300-R304 VanDerWaalsContact OD1-NE 3.11Å; D300-R304 IonicContact OD1-NH2 3.15Å; D300-R304 PolarHBondContact OD1-NH2 2.91Å; D300-R304 WeakPolarHBondContact OD2-CD 3.42Å; D300-R304 IonicContact OD2-CZ 2.6Å; D300-R304 IonicContact OD2-NE 2.9Å; D300-R304 PolarHBondContact OD2-NE 2.89Å; D300-R304 IonicContact OD2-NH2 2.73Å
301G98.4Very high98.3Very high0 Ų053.5 Ų53.50%025%0.252CS..Hα-helixtrans-61.5-46.8179.900000113.3R182 K297 L298 R303 R304 F305R182-G301 VanDerWaalsContact NH1-CA 3.27Å; K297-G301 PolarHBondContact O-N 3.27Å; L298-G301 PolarHBondContact O-N 2.99Å; G301-R303 VanDerWaalsContact C-N 3.32Å; G301-R303 PolarHBondContact O-N 3.29Å; G301-R304 PolarHBondContact O-N 3.24Å; G301-F305 PolarHBondContact O-N 3.43Å
302I98.6Very high98.2Very high15 Ų1551 Ų518%0.07724%0.239CC..Hα-helixtrans-59.4-45.1175.4-65.4169.4000110.2A99 F103 T136 L158 L298 R304 N306A99-I302 HydrophobicContact CB-CG2 4.44Å; F103-I302 HydrophobicContact CE1-CD1 4.21Å; F103-I302 HydrophobicContact CE2-CD1 4.22Å; F103-I302 HydrophobicContact CZ-CD1 3.64Å; T136-I302 HydrophobicContact CG2-CD1 3.81Å; L158-I302 HydrophobicContact CD1-CG1 3.72Å; L298-I302 HydrophobicContact CD1-CD1 4Å; L298-I302 HydrophobicContact CD1-CG1 4.37Å; L298-I302 HydrophobicContact CG-CD1 4.27Å; L298-I302 WeakPolarHBondContact O-CG1 3.17Å; L298-I302 PolarHBondContact O-N 3.25Å; L298-I302 VanDerWaalsContact O-N 3.09Å; I302-R304 PolarHBondContact O-N 2.64Å; I302-N306 VanDerWaalsContact O-CB 3.29Å; I302-N306 WeakPolarHBondContact O-CB 3.19Å; I302-N306 PolarHBondContact O-N 3.04Å
303R98.6Very high98.1Very high148 Ų14846 Ų4656%0.55822%0.215SC*.Hα-helixtrans-60.7-42.3178.4-74.7-173.3-61.8-94.83.6112.5A299 D300 G301 K307A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 3.45Å; A299-R303 VanDerWaalsContact O-N 3.16Å; A299-R303 PolarHBondContact O-NH1 3.45Å; D300-R303 VanDerWaalsContact CA-NH2 3.3Å; D300-R303 PolarHBondContact O-N 3.13Å; G301-R303 VanDerWaalsContact C-N 3.32Å; G301-R303 PolarHBondContact O-N 3.29Å; R303-K307 WeakPolarHBondContact O-CB 3.31Å; R303-K307 PolarHBondContact O-N 3.38Å
304R98.1Very high98.1Very high134 Ų13450.9 Ų50.951%0.50624%0.236SC..Hα-helixtrans-68-47.7-179.9-71.9178.4-172.4-98.2-2112D300 G301 I302 N306 K307 D308D300-R304 VanDerWaalsContact CG-NE 3.29Å; D300-R304 WeakPolarHBondContact O-CG 3.48Å; D300-R304 PolarHBondContact O-N 2.94Å; D300-R304 IonicContact OD1-CZ 2.8Å; D300-R304 IonicContact OD1-NE 3.59Å; D300-R304 PolarHBondContact OD1-NE 3.34Å; D300-R304 VanDerWaalsContact OD1-NE 3.11Å; D300-R304 IonicContact OD1-NH2 3.15Å; D300-R304 PolarHBondContact OD1-NH2 2.91Å; D300-R304 WeakPolarHBondContact OD2-CD 3.42Å; D300-R304 IonicContact OD2-CZ 2.6Å; D300-R304 IonicContact OD2-NE 2.9Å; D300-R304 PolarHBondContact OD2-NE 2.89Å; D300-R304 IonicContact OD2-NH2 2.73Å; G301-R304 PolarHBondContact O-N 3.24Å; I302-R304 PolarHBondContact O-N 2.64Å; R304-N306 VanDerWaalsContact C-N 3.32Å; R304-N306 PolarHBondContact O-N 2.95Å; R304-K307 WeakPolarHBondContact O-CB 3.45Å; R304-K307 PolarHBondContact O-N 3.31Å; R304-K307 VanDerWaalsContact O-N 3.13Å; R304-D308 PolarHBondContact O-N 3.38Å
305F98Very high97.9Very high2 Ų253.9 Ų53.91%0.00925%0.252CS..Hα-helixtrans-62.2-40.7176.8-72-14.8000112.1N34 P35 E96 A99 L158 F179 G301 D308 A309N34-F305 HydrophobicContact CB-CE1 4.22Å; N34-F305 HydrophobicContact CB-CZ 4.12Å; P35-F305 HydrophobicContact CG-CB 4.22Å; E96-F305 WeakPolarHBondContact OE1-CD2 3.48Å; E96-F305 WeakPolarHBondContact OE1-CE2 3.35Å; A99-F305 HydrophobicContact CB-CB 4.06Å; L158-F305 HydrophobicContact CD1-CD2 3.98Å; L158-F305 HydrophobicContact CD1-CE2 4.14Å; L158-F305 HydrophobicContact CD2-CD2 4.21Å; L158-F305 HydrophobicContact CD2-CE2 3.7Å; L158-F305 HydrophobicContact CD2-CZ 4.27Å; L158-F305 HydrophobicContact CG-CD2 4.28Å; L158-F305 HydrophobicContact CG-CE2 3.92Å; F179-F305 HydrophobicContact CE2-CZ 4.11Å; F179-F305 HydrophobicContact CZ-CZ 4.17Å; G301-F305 PolarHBondContact O-N 3.43Å; F305-D308 PolarHBondContact O-N 2.68Å; F305-A309 VanDerWaalsContact O-CB 3.31Å; F305-A309 WeakPolarHBondContact O-CB 3.49Å; F305-A309 PolarHBondContact O-N 3.02Å
306N98.2Very high97.8Very high41 Ų4151.5 Ų51.522%0.21924%0.237CC..Hα-helixtrans-63.4-41173-176.633.1000112.1A99 R100 I302 R304 D308 A309 R310A99-N306 HydrophobicContact CB-CB 4.09Å; R100-N306 WeakPolarHBondContact CG-OD1 3.31Å; I302-N306 VanDerWaalsContact O-CB 3.29Å; I302-N306 WeakPolarHBondContact O-CB 3.19Å; I302-N306 PolarHBondContact O-N 3.04Å; R304-N306 VanDerWaalsContact C-N 3.32Å; R304-N306 PolarHBondContact O-N 2.95Å; N306-D308 PolarHBondContact O-N 2.75Å; N306-A309 PolarHBondContact O-N 3.42Å; N306-R310 WeakPolarHBondContact O-CB 3.28Å; N306-R310 VanDerWaalsContact O-CG 3.24Å; N306-R310 WeakPolarHBondContact O-CG 3.46Å; N306-R310 PolarHBondContact O-N 2.96Å
307K98.4Very high97.8Very high144 Ų14449.9 Ų49.963%0.62623%0.227SC*.Hα-helixtrans-57.9-48.8177-179.2-174.5174.7-174.40111.1R303 R304 R310 V311R303-K307 WeakPolarHBondContact O-CB 3.31Å; R303-K307 PolarHBondContact O-N 3.38Å; R304-K307 WeakPolarHBondContact O-CB 3.45Å; R304-K307 PolarHBondContact O-N 3.31Å; R304-K307 VanDerWaalsContact O-N 3.13Å; K307-R310 PolarHBondContact O-N 3.04Å; K307-V311 WeakPolarHBondContact O-CG2 3.3Å; K307-V311 PolarHBondContact O-N 2.75Å
308D97.9Very high97.7Very high33 Ų3357.5 Ų57.518%0.17626%0.255CS..Hα-helixtrans-68.7-41.7-178.8-64.8-21.7000111.4P35 T36 L39 R304 F305 N306 R310 V311 L312P35-D308 HydrophobicContact CB-CB 4.36Å; T36-D308 WeakPolarHBondContact CB-OD2 3.28Å; T36-D308 WeakPolarHBondContact CG2-OD2 3.35Å; T36-D308 PolarHBondContact OG1-OD2 2.81Å; L39-D308 HydrophobicContact CD2-CB 3.9Å; R304-D308 PolarHBondContact O-N 3.38Å; F305-D308 PolarHBondContact O-N 2.68Å; N306-D308 PolarHBondContact O-N 2.75Å; D308-R310 VanDerWaalsContact C-N 3.29Å; D308-R310 PolarHBondContact O-N 2.84Å; D308-V311 WeakPolarHBondContact O-CB 3.4Å; D308-V311 PolarHBondContact O-N 2.81Å; D308-V311 VanDerWaalsContact O-N 3.09Å; D308-L312 PolarHBondContact O-N 3.33Å; D308-L312 VanDerWaalsContact O-N 3.14Å
309A97.3Very high97.6Very high4 Ų461.7 Ų61.73%0.03327%0.272CS..Hα-helixtrans-57.3-40.8173.400000112.1P35 M74 F305 N306 V311 L312 E313P35-A309 HydrophobicContact CB-CB 4.09Å; P35-A309 HydrophobicContact CG-CB 4.43Å; M74-A309 HydrophobicContact CE-CB 4.19Å; F305-A309 VanDerWaalsContact O-CB 3.31Å; F305-A309 WeakPolarHBondContact O-CB 3.49Å; F305-A309 PolarHBondContact O-N 3.02Å; N306-A309 PolarHBondContact O-N 3.42Å; A309-V311 VanDerWaalsContact C-N 3.33Å; A309-V311 PolarHBondContact O-N 3.46Å; A309-L312 PolarHBondContact O-N 3.21Å; A309-E313 WeakPolarHBondContact O-CB 3.37Å; A309-E313 PolarHBondContact O-N 2.89Å
310R97.5Very high97.5Very high134 Ų13460.6 Ų60.651%0.50626%0.261SS..Hα-helixtrans-68.2-29.2176.9-72.7178.775.8-173.66.4113.5N306 K307 D308 K314N306-R310 WeakPolarHBondContact O-CB 3.28Å; N306-R310 VanDerWaalsContact O-CG 3.24Å; N306-R310 WeakPolarHBondContact O-CG 3.46Å; N306-R310 PolarHBondContact O-N 2.96Å; K307-R310 PolarHBondContact O-N 3.04Å; D308-R310 VanDerWaalsContact C-N 3.29Å; D308-R310 PolarHBondContact O-N 2.84Å; R310-K314 WeakPolarHBondContact O-CB 3.28Å; R310-K314 VanDerWaalsContact O-CG 3.23Å; R310-K314 WeakPolarHBondContact O-CG 3.16Å; R310-K314 PolarHBondContact O-N 2.76Å; R310-K314 VanDerWaalsContact O-N 3.1Å
311V97.8Very high97.4Very high71 Ų7166.1 Ų66.143%0.4329%0.291SS..Hα-helixtrans-67-45.9173.1175.40000109.5L39 K307 D308 A309 K314 L315L39-V311 HydrophobicContact CD1-CB 4.25Å; L39-V311 HydrophobicContact CD1-CG1 3.78Å; L39-V311 HydrophobicContact CD2-CB 4.06Å; L39-V311 HydrophobicContact CD2-CG1 4.12Å; K307-V311 WeakPolarHBondContact O-CG2 3.3Å; K307-V311 PolarHBondContact O-N 2.75Å; D308-V311 WeakPolarHBondContact O-CB 3.4Å; D308-V311 PolarHBondContact O-N 2.81Å; D308-V311 VanDerWaalsContact O-N 3.09Å; A309-V311 VanDerWaalsContact C-N 3.33Å; A309-V311 PolarHBondContact O-N 3.46Å; V311-K314 PolarHBondContact O-N 2.92Å; V311-L315 PolarHBondContact O-N 3.11Å; V311-L315 VanDerWaalsContact O-N 3.13Å
312L96.2Very high97.2Very high0 Ų067.7 Ų67.70%030%0.299CS..Hα-helixtrans-64.9-42.7177.7-171.458.5000112.2I38 L39 S42 M74 L77 F78 D308 A309 K314 L315 L316I38-L312 HydrophobicContact CB-CD2 4.49Å; I38-L312 HydrophobicContact CG2-CD2 3.73Å; L39-L312 HydrophobicContact CD1-CB 4.31Å; L39-L312 HydrophobicContact CD1-CD1 4.5Å; S42-L312 WeakPolarHBondContact OG-CD1 3.34Å; M74-L312 HydrophobicContact CE-CB 4.22Å; M74-L312 HydrophobicContact CE-CD2 4.03Å; M74-L312 HydrophobicContact CE-CG 4.27Å; M74-L312 HydrophobicContact SD-CB 3.98Å; M74-L312 HydrophobicContact SD-CD2 3.94Å; M74-L312 HydrophobicContact SD-CG 3.69Å; L77-L312 HydrophobicContact CD2-CD1 3.86Å; L77-L312 HydrophobicContact CD2-CD2 3.87Å; L77-L312 HydrophobicContact CD2-CG 4.02Å; F78-L312 HydrophobicContact CE2-CD2 3.76Å; F78-L312 HydrophobicContact CZ-CD2 4.48Å; D308-L312 PolarHBondContact O-N 3.33Å; D308-L312 VanDerWaalsContact O-N 3.14Å; A309-L312 PolarHBondContact O-N 3.21Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.41Å; L312-L315 HydrophobicContact CD1-CD2 4.31Å; L312-L315 WeakPolarHBondContact O-CB 3.17Å; L312-L315 PolarHBondContact O-N 2.9Å; L312-L315 VanDerWaalsContact O-N 3.12Å; L312-L316 PolarHBondContact O-N 3.39Å
313E97.4Very high96.7Very high14 Ų1476 Ų767%0.06534%0.335CS..Hα-helixtrans-60.2-41.9175.9-170-170.913500111.4A70 M74 R100 A309 L315 L316 R317A70-E313 HydrophobicContact CB-CG 4.1Å; M74-E313 HydrophobicContact CG-CB 4.24Å; M74-E313 HydrophobicContact CG-CG 4.31Å; M74-E313 HydrophobicContact SD-CB 4.12Å; R100-E313 IonicContact CZ-OE2 3.21Å; R100-E313 VanDerWaalsContact CZ-OE2 3.23Å; R100-E313 IonicContact NH1-OE1 2.81Å; R100-E313 IonicContact NH1-OE2 2.75Å; R100-E313 PolarHBondContact NH1-OE2 3.08Å; R100-E313 IonicContact NH2-OE2 2.69Å; R100-E313 PolarHBondContact NH2-OE2 3.48Å; A309-E313 WeakPolarHBondContact O-CB 3.37Å; A309-E313 PolarHBondContact O-N 2.89Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 2.94Å; E313-L316 PolarHBondContact O-N 2.92Å; E313-R317 WeakPolarHBondContact O-CB 3.44Å; E313-R317 WeakPolarHBondContact O-CG 3.28Å; E313-R317 PolarHBondContact O-N 3.08Å; E313-R317 IonicContact OE1-CZ 3.64Å; E313-R317 VanDerWaalsContact OE1-CZ 3.24Å; E313-R317 IonicContact OE1-NE 3.48Å; E313-R317 PolarHBondContact OE1-NE 3.39Å; E313-R317 IonicContact OE1-NH2 3.68Å; E313-R317 PolarHBondContact OE1-NH2 3.28Å
314K97.5Very high96.6Very high117 Ų11772.5 Ų72.551%0.50932%0.324SS..Hα-helixtrans-62.9-37.1175.6-77.5174.2-177.8-175.30112.6R310 V311 L312 R318R310-K314 WeakPolarHBondContact O-CB 3.28Å; R310-K314 VanDerWaalsContact O-CG 3.23Å; R310-K314 WeakPolarHBondContact O-CG 3.16Å; R310-K314 PolarHBondContact O-N 2.76Å; R310-K314 VanDerWaalsContact O-N 3.1Å; V311-K314 PolarHBondContact O-N 2.92Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.41Å; K314-R318 WeakPolarHBondContact O-CB 3.4Å; K314-R318 PolarHBondContact O-N 3.38Å; K314-R318 VanDerWaalsContact O-N 3.07Å
315L95.6Very high96.5Very high63 Ų6369.2 Ų69.233%0.3332%0.315SS..Hα-helixtrans-62.2-47.7174.7177.567.6000110.5I51 V311 L312 E313 R318 K319I51-L315 HydrophobicContact CD1-CD2 4.39Å; V311-L315 PolarHBondContact O-N 3.11Å; V311-L315 VanDerWaalsContact O-N 3.13Å; L312-L315 HydrophobicContact CD1-CD2 4.31Å; L312-L315 WeakPolarHBondContact O-CB 3.17Å; L312-L315 PolarHBondContact O-N 2.9Å; L312-L315 VanDerWaalsContact O-N 3.12Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 2.94Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-K319 PolarHBondContact O-N 2.95Å
316L96.8Very high96.4Very high0 Ų072.9 Ų72.90%033%0.332CS..Hα-helixtrans-63.5-47178.6-70.3174.6000112.1I51 I55 A73 M74 L77 L312 E313 R318 K319 M320I51-L316 HydrophobicContact CG2-CD2 3.79Å; I55-L316 HydrophobicContact CD1-CD2 4.12Å; I55-L316 HydrophobicContact CG1-CD2 3.91Å; A73-L316 HydrophobicContact CB-CD1 4.05Å; M74-L316 HydrophobicContact CB-CD1 4.39Å; M74-L316 HydrophobicContact CG-CD1 3.69Å; M74-L316 HydrophobicContact SD-CD1 3.51Å; M74-L316 VanDerWaalsContact SD-CD1 3.51Å; L77-L316 HydrophobicContact CD2-CD1 4.24Å; L77-L316 HydrophobicContact CD2-CD2 4.41Å; L312-L316 PolarHBondContact O-N 3.39Å; E313-L316 PolarHBondContact O-N 2.92Å; L316-R318 VanDerWaalsContact C-N 3.26Å; L316-R318 PolarHBondContact O-N 3.11Å; L316-K319 PolarHBondContact O-N 2.96Å; L316-K319 VanDerWaalsContact O-N 3.14Å; L316-M320 HydrophobicContact CB-CE 4.06Å; L316-M320 WeakPolarHBondContact O-CB 3.32Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å; L316-M320 PolarHBondContact O-N 3.37Å
317R97.9Very high96.3Very high30 Ų3074.8 Ų74.811%0.11334%0.338CS..Hα-helixtrans-56.8-40.4175.5-75178-178.2-92.62.7112.5D67 A70 E313 M320 D321 L322 F323D67-R317 IonicContact OD1-CZ 2.62Å; D67-R317 IonicContact OD1-NH1 2.79Å; D67-R317 PolarHBondContact OD1-NH1 3.03Å; D67-R317 IonicContact OD1-NH2 3.73Å; D67-R317 PolarHBondContact OD1-NH2 2.85Å; A70-R317 HydrophobicContact CB-CG 3.77Å; E313-R317 WeakPolarHBondContact O-CB 3.44Å; E313-R317 WeakPolarHBondContact O-CG 3.28Å; E313-R317 PolarHBondContact O-N 3.08Å; E313-R317 IonicContact OE1-CZ 3.64Å; E313-R317 VanDerWaalsContact OE1-CZ 3.24Å; E313-R317 IonicContact OE1-NE 3.48Å; E313-R317 PolarHBondContact OE1-NE 3.39Å; E313-R317 IonicContact OE1-NH2 3.68Å; E313-R317 PolarHBondContact OE1-NH2 3.28Å; R317-M320 CarbonylContact O-C 3.59Å; R317-M320 PolarHBondContact O-N 2.67Å; R317-D321 PolarHBondContact O-N 3.26Å; R317-L322 HydrophobicContact CB-CB 4.23Å; R317-L322 HydrophobicContact CG-CB 4.26Å; R317-L322 HydrophobicContact CG-CD1 4.47Å; R317-L322 PolarHBondContact O-N 2.77Å; R317-F323 HydrophobicContact CB-CD2 4.25Å; R317-F323 HydrophobicContact CB-CE1 4.23Å; R317-F323 HydrophobicContact CB-CE2 3.59Å; R317-F323 HydrophobicContact CB-CZ 3.58Å
318R97Very high96.2Very high178 Ų17870.5 Ų70.567%0.67232%0.32SS*.Hα-helixtrans-66.9-41.9177.8-172.7178-65.1174-1111.6K314 L315 L316 M320 D321 F323K314-R318 WeakPolarHBondContact O-CB 3.4Å; K314-R318 PolarHBondContact O-N 3.38Å; K314-R318 VanDerWaalsContact O-N 3.07Å; L315-R318 PolarHBondContact O-N 3.44Å; L316-R318 VanDerWaalsContact C-N 3.26Å; L316-R318 PolarHBondContact O-N 3.11Å; R318-M320 PolarHBondContact O-N 3.23Å; R318-D321 PolarHBondContact O-N 2.78Å; R318-F323 HydrophobicContact CB-CE2 3.98Å
319K96Very high96.1Very high105 Ų10573 Ų7346%0.45733%0.33SS..Hα-helixtrans-70.3-20.5178.3-75.3-179.9161.8-81.70113.2I51 I55 L315 L316I51-K319 HydrophobicContact CG2-CD 3.87Å; I55-K319 HydrophobicContact CD1-CB 3.46Å; I55-K319 VanDerWaalsContact CD1-CB 3.46Å; I55-K319 HydrophobicContact CD1-CD 3.75Å; I55-K319 HydrophobicContact CD1-CG 4.25Å; L315-K319 PolarHBondContact O-N 2.95Å; L316-K319 PolarHBondContact O-N 2.96Å; L316-K319 VanDerWaalsContact O-N 3.14Å
320M96.7Very high96Very high10 Ų1077.9 Ų77.95%0.04935%0.351CS..THydrogen-bonded Turntrans-102.83.6177.8-69-169.6-73.900114I55 A58 Q59 A73 L316 R317 R318 L322I55-M320 HydrophobicContact CB-CG 4.16Å; I55-M320 HydrophobicContact CB-SD 4.35Å; I55-M320 HydrophobicContact CD1-CG 4.34Å; I55-M320 HydrophobicContact CG1-CG 3.83Å; I55-M320 HydrophobicContact CG1-SD 4.14Å; I55-M320 HydrophobicContact CG2-CG 3.5Å; I55-M320 VanDerWaalsContact CG2-CG 3.5Å; I55-M320 HydrophobicContact CG2-SD 4.06Å; A58-M320 HydrophobicContact CB-SD 4.34Å; Q59-M320 HydrophobicContact CG-SD 4.26Å; A73-M320 HydrophobicContact CB-CE 3.56Å; A73-M320 HydrophobicContact CB-SD 4.15Å; L316-M320 HydrophobicContact CB-CE 4.06Å; L316-M320 WeakPolarHBondContact O-CB 3.32Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å; L316-M320 PolarHBondContact O-N 3.37Å; R317-M320 CarbonylContact O-C 3.59Å; R317-M320 PolarHBondContact O-N 2.67Å; R318-M320 PolarHBondContact O-N 3.23Å; M320-L322 HydrophobicContact CB-CD1 3.78Å; M320-L322 HydrophobicContact CB-CD2 4.37Å; M320-L322 HydrophobicContact CB-CG 3.63Å; M320-L322 HydrophobicContact CE-CD1 3.57Å; M320-L322 PolarHBondContact O-N 3.38Å; M320-L322 HydrophobicContact SD-CD1 4.14Å
321D96.2Very high95.9Very high145 Ų14573.6 Ų73.678%0.77534%0.339SS*.THydrogen-bonded Turntrans52.845.2-176.6-59.6-46.2000114.4R317 R318R317-D321 PolarHBondContact O-N 3.26Å; R318-D321 PolarHBondContact O-N 2.78Å
322L92.7Very high95.7Very high34 Ų3473.8 Ų73.818%0.17833%0.332CS..  trans-97.922-175.2-60.5178.6000115A66 Y69 A70 R317 M320A66-L322 HydrophobicContact CB-CB 4.27Å; A66-L322 HydrophobicContact CB-CD2 4.38Å; Y69-L322 HydrophobicContact CD2-CD2 4.49Å; A70-L322 HydrophobicContact CB-CD1 4.39Å; R317-L322 HydrophobicContact CB-CB 4.23Å; R317-L322 HydrophobicContact CG-CB 4.26Å; R317-L322 HydrophobicContact CG-CD1 4.47Å; R317-L322 PolarHBondContact O-N 2.77Å; M320-L322 HydrophobicContact CB-CD1 3.78Å; M320-L322 HydrophobicContact CB-CD2 4.37Å; M320-L322 HydrophobicContact CB-CG 3.63Å; M320-L322 HydrophobicContact CE-CD1 3.57Å; M320-L322 PolarHBondContact O-N 3.38Å; M320-L322 HydrophobicContact SD-CD1 4.14Å
323F88.5Confident95.7Very high190 Ų19080.5 Ų80.583%0.83336%0.362SS*.  trans-102.30-179.6-72.8-70.4000113.1R317 R318R317-F323 HydrophobicContact CB-CD2 4.25Å; R317-F323 HydrophobicContact CB-CE1 4.23Å; R317-F323 HydrophobicContact CB-CE2 3.59Å; R317-F323 HydrophobicContact CB-CZ 3.58Å; R318-F323 HydrophobicContact CB-CE2 3.98Å

Retrieved 323 of 323 residues in 251.6 ms (Link to these results)

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